5-(dimethylamino)-8-hydroxy-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione (CED0253770)

Record Information

Version

1.0

Creation Date

2026-08-28 19:38:15 UTC

Update Date

2026-08-28 19:38:15 UTC

SynCED ID

CED0253770

Secondary Accession Numbers

CHEM298447

Identification

Common Name

5-(dimethylamino)-8-hydroxy-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione

Class

Small Molecule

Description

5-(dimethylamino)-8-hydroxy-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione belongs to the aminotriazines, a subclass of triazines within the organic compounds. This organoheterocyclic compound has the chemical formula C16H20N4O3 and an average molecular weight of 316.35 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₂₀N₄O₃

Average Molecular Mass

Not Available

Monoisotopic Mass

316.154 g/mol

CAS Registry Number

35306-78-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCC1C(=O)N2C3=C(C=C(C(=C3)C)O)N=C(N2C1=O)N(C)C

InChI Identifier

InChI=1S/C16H20N4O3/c1-5-6-10-14(22)19-12-7-9(2)13(21)8-11(12)17-16(18(3)4)20(19)15(10)23/h7-8,10,21H,5-6H2,1-4H3

InChI Key

OMGXOEFNBDYLQW-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-000x-8591000000-1bbee8b02f42a401fa47	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-c1f67f9cef074095e2b0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-c1f67f9cef074095e2b0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9642000000-d2e7a561b73ef0e1982b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-a02b3602f8a5334e96d4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0059000000-f97cea4d9e2235914885	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-015j-5090000000-eb27c39a5dddf8ae9e5f	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2351.0 Log mg/kg [1300:4200]	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
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	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	3-oxoacyl-[acyl-carrier-protein] synthase 1	P9WQD9	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.246 Low confidence Statistical Significance 0.0021 Supporting Reference Compounds 1 E-value 16.1148
Click to view 3D structure	Glutathione reductase	P41921	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.216 Low confidence Statistical Significance 6.40e-04 Supporting Reference Compounds 2 E-value 4.98235
Click to view 3D structure	Major prion protein	P04273	Mesocricetus auratus	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.208 Low confidence Statistical Significance 0.0091 Supporting Reference Compounds 1 E-value 71.0763
Click to view 3D structure	fMet-Leu-Phe receptor	P21462	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.308 Statistical Significance 0.1369 Supporting Reference Compounds 42 E-value 1065.99
Click to view 3D structure	Thioredoxin reductase 2, mitochondrial	Q9Z0J5	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.207 Low confidence Statistical Significance 6.50e-04 Supporting Reference Compounds 1 E-value 5.0602
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.308 Statistical Significance 0.3082 Supporting Reference Compounds 136 E-value 2399.62
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.216 Low confidence Statistical Significance 0.8184 Supporting Reference Compounds 861 E-value 6371.26
Click to view 3D structure	Acetyl-CoA carboxylase	Q3V4E6	Zea mays	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.197 Low confidence Statistical Significance 0.0085 Supporting Reference Compounds 1 E-value 65.8604
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.203 Low confidence Statistical Significance 0.5659 Supporting Reference Compounds 372 E-value 4405.57
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.203 Low confidence Statistical Significance 0.6285 Supporting Reference Compounds 472 E-value 4892.75
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.203 Low confidence Statistical Significance 0.4665 Supporting Reference Compounds 242 E-value 3631.59
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.203 Low confidence Statistical Significance 0.3143 Supporting Reference Compounds 151 E-value 2447.03
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.203 Low confidence Statistical Significance 0.574 Supporting Reference Compounds 407 E-value 4468.86
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.203 Low confidence Statistical Significance 0.2937 Supporting Reference Compounds 157 E-value 2286.67
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.203 Low confidence Statistical Significance 0.4081 Supporting Reference Compounds 193 E-value 3176.79
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.203 Low confidence Statistical Significance 0.892 Supporting Reference Compounds 967 E-value 6944.23
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.206 Low confidence Statistical Significance 0.7517 Supporting Reference Compounds 373 E-value 5852.16
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.206 Low confidence Statistical Significance 0.6642 Supporting Reference Compounds 297 E-value 5170.9
Click to view 3D structure	Serine/threonine-protein kinase VRK1	Q99986	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.193 Low confidence Statistical Significance 0.0241 Supporting Reference Compounds 13 E-value 187.383
Click to view 3D structure	Ribosomal protein S6 kinase alpha-1	Q63531	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.192 Low confidence Statistical Significance 0.0203 Supporting Reference Compounds 1 E-value 157.8
Click to view 3D structure	Carbonic anhydrase 13	Q8N1Q1	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.203 Low confidence Statistical Significance 0.271 Supporting Reference Compounds 92 E-value 2109.71
Click to view 3D structure	Ribosomal protein S6 kinase alpha-3	P51812	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.193 Low confidence Statistical Significance 0.876 Supporting Reference Compounds 733 E-value 6819.83
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.197 Low confidence Statistical Significance 0.9305 Supporting Reference Compounds 1660 E-value 7243.95
Click to view 3D structure	NS3	A3EZJ3	Hepatitis C virus	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.215 Low confidence Statistical Significance 0.2314 Supporting Reference Compounds 70 E-value 1801.35
Click to view 3D structure	Vascular endothelial growth factor receptor 1	P17948	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.197 Low confidence Statistical Significance 0.8779 Supporting Reference Compounds 711 E-value 6834.62