[[6-[(Hydroxymethyl)amino]-1,3,5-triazine-2,4-diyl]dinitrilo]tetrakismethanol (CED0168488)

Record Information

Version

1.0

Creation Date

2026-04-05 00:04:51 UTC

Update Date

2026-04-05 00:04:51 UTC

SynCED ID

CED0168488

Secondary Accession Numbers

CHEM085954

Identification

Common Name

[[6-[(Hydroxymethyl)amino]-1,3,5-triazine-2,4-diyl]dinitrilo]tetrakismethanol

Class

Small Molecule

Description

[[6-[(Hydroxymethyl)amino]-1,3,5-triazine-2,4-diyl]dinitrilo]tetrakismethanol belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. It has the chemical formula C8H16N6O5 and an average molecular weight of 276.25 g/mol. This substance is further classified as an organic nitrogen compound.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₆N₆O₅

Average Molecular Mass

276.253 g/mol

Monoisotopic Mass

276.118 g/mol

CAS Registry Number

13329-69-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OCN=C1N=C(NC(=N1)N(CO)CO)N(CO)CO

InChI Identifier

InChI=1/C8H16N6O5/c15-1-9-6-10-7(13(2-16)3-17)12-8(11-6)14(4-18)5-19/h15-19H,1-5H2,(H,9,10,11,12)

InChI Key

SYDYRFPJJJPJFE-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
3190.0 Log mg/kg [1800:5700]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000638	Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.	Textiles, leather & furnishings	PubChem
CEDs000641	Foam Dyeing?Foam dyeing is a textile dyeing technique that utilizes a foaming agent to create a dye solution in a gaseous form, allowing for the application of dyes onto fabrics.	Textiles, leather & furnishings	PubChem
CEDs000657	Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.	Textiles, leather & furnishings	PubChem
CEDs000659	Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	Building & Construction	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000742	Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.	Textiles, leather & furnishings	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Exopolyphosphatase PRUNE1	Q86TP1	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.174 Low confidence Statistical Significance 0.0068 Supporting Reference Compounds 2 E-value 52.8596
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.17 Low confidence Statistical Significance 0.9968 Supporting Reference Compounds 1130 E-value 7759.85
Click to view 3D structure	Cytochrome P450 2C8	P10632	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.17 Low confidence Statistical Significance 0.9882 Supporting Reference Compounds 305 E-value 7693.06
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.17 Low confidence Statistical Significance 0.9954 Supporting Reference Compounds 793 E-value 7749.27
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.17 Low confidence Statistical Significance 0.9988 Supporting Reference Compounds 1538 E-value 7775.5
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.157 Low confidence Statistical Significance 0.9977 Supporting Reference Compounds 825 E-value 7767.02
Click to view 3D structure	Serine/threonine protein kinase UL97	P16788	HHV-5	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.136 Low confidence Statistical Significance 0.0568 Supporting Reference Compounds 1 E-value 441.872
Click to view 3D structure	cGMP-specific 3',5'-cyclic phosphodiesterase	O76074	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.174 Low confidence Statistical Significance 0.9829 Supporting Reference Compounds 183 E-value 7652.03
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.171 Low confidence Statistical Significance 0.9939 Supporting Reference Compounds 906 E-value 7737.28
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.17 Low confidence Statistical Significance 0.9895 Supporting Reference Compounds 150 E-value 7702.87
Click to view 3D structure	Thymidylate synthase	P07607	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.151 Low confidence Statistical Significance 0.5758 Supporting Reference Compounds 24 E-value 4482.25
Click to view 3D structure	Thymidylate synthase	P04818	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.151 Low confidence Statistical Significance 0.8423 Supporting Reference Compounds 51 E-value 6557.63
Click to view 3D structure	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Q9HCR9	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.174 Low confidence Statistical Significance 0.9606 Supporting Reference Compounds 85 E-value 7477.96
Click to view 3D structure	cGMP-dependent 3',5'-cyclic phosphodiesterase	O00408	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.174 Low confidence Statistical Significance 0.9761 Supporting Reference Compounds 119 E-value 7598.55
Click to view 3D structure	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.174 Low confidence Statistical Significance 0.9752 Supporting Reference Compounds 146 E-value 7591.78
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.174 Low confidence Statistical Significance 0.9879 Supporting Reference Compounds 170 E-value 7690.72
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.151 Low confidence Statistical Significance 0.9988 Supporting Reference Compounds 1245 E-value 7775.42
Click to view 3D structure	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	O60658	Humans	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.174 Low confidence Statistical Significance 0.953 Supporting Reference Compounds 59 E-value 7418.95
Click to view 3D structure	Cell division protein FtsZ	P9WN95	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.13 Low confidence Statistical Significance 0.3777 Supporting Reference Compounds 1 E-value 2940.05
Click to view 3D structure	Voltage-dependent T-type calcium channel subunit alpha-1H	O95180	Humans	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.137 Low confidence Statistical Significance 0.9844 Supporting Reference Compounds 90 E-value 7663.79
Click to view 3D structure	Casein kinase II subunit alpha	P68400	Humans	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.171 Low confidence Statistical Significance 0.9944 Supporting Reference Compounds 593 E-value 7741.72
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.132 Low confidence Statistical Significance 0.9975 Supporting Reference Compounds 1157 E-value 7765.23
Click to view 3D structure	Beta-galactosidase	Q2U7N3	Aspergillus oryzae	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.14 Low confidence Statistical Significance 0.0125 Supporting Reference Compounds 3 E-value 97.3115
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P48029	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.128 Low confidence Statistical Significance 0.0202 Supporting Reference Compounds 1 E-value 157.333
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.131 Low confidence Statistical Significance 0.9971 Supporting Reference Compounds 1017 E-value 7762.66