2-amino-3-(2h-triazol-4-yl)propanoic acid (CED0310108)

Record Information

Version

1.0

Creation Date

2026-09-01 08:12:27 UTC

Update Date

2026-09-01 08:12:27 UTC

SynCED ID

CED0310108

Secondary Accession Numbers

CHEM355815

Identification

Common Name

2-amino-3-(2h-triazol-4-yl)propanoic acid

Class

Small Molecule

Description

2-amino-3-(2h-triazol-4-yl)propanoic acid is a chemical compound with the formula C5H8N4O2. It has an average molecular weight of 156.14 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₈N₄O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

156.065 g/mol

CAS Registry Number

678980-89-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=NNN=C1CC(C(=O)O)N

InChI Identifier

InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)

InChI Key

YCHNJQXUYMPHNB-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
6720.0 Log mg/kg [3800:12000]	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
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
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
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	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	Glutamate receptor 2	P42262	Humans	Predicted (SEA)	Prediction Confidence Score 0.359 Applicability Domain 0.375 Statistical Significance 1.80e-04 Supporting Reference Compounds 41 E-value 1.40129
Click to view 3D structure	Glutamate receptor 2	P19491	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.375 Statistical Significance 9.00e-05 Supporting Reference Compounds 34 E-value 0.700643
Click to view 3D structure	Glutamate receptor 1	P42261	Humans	Predicted (SEA)	Prediction Confidence Score 0.354 Applicability Domain 0.375 Statistical Significance 4.50e-04 Supporting Reference Compounds 37 E-value 3.50322
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P39086	Humans	Predicted (SEA)	Prediction Confidence Score 0.354 Applicability Domain 0.375 Statistical Significance 2.40e-04 Supporting Reference Compounds 31 E-value 1.86838
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P22756	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.35 Applicability Domain 0.375 Statistical Significance 3.40e-04 Supporting Reference Compounds 45 E-value 2.64687
Click to view 3D structure	Glutamate receptor 3	P19492	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.349 Applicability Domain 0.357 Statistical Significance 1.10e-04 Supporting Reference Compounds 30 E-value 0.856341
Click to view 3D structure	Tyrosine 3-monooxygenase	P04177	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.349 Applicability Domain 0.349 Statistical Significance 1.10e-04 Supporting Reference Compounds 1 E-value 0.856341
Click to view 3D structure	Glutamate receptor 3	P42263	Humans	Predicted (SEA)	Prediction Confidence Score 0.348 Applicability Domain 0.375 Statistical Significance 6.00e-05 Supporting Reference Compounds 16 E-value 0.467095
Click to view 3D structure	Glutamate receptor 1	P19490	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.347 Applicability Domain 0.349 Statistical Significance 5.60e-04 Supporting Reference Compounds 37 E-value 4.35956
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.344 Applicability Domain 0.344 Statistical Significance 2.40e-04 Supporting Reference Compounds 2 E-value 1.86838
Click to view 3D structure	Glutamate receptor 4	P48058	Humans	Predicted (SEA)	Prediction Confidence Score 0.343 Applicability Domain 0.375 Statistical Significance 1.90e-04 Supporting Reference Compounds 25 E-value 1.47914
Click to view 3D structure	Glutamate receptor 4	P19493	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.341 Applicability Domain 0.349 Statistical Significance 9.00e-05 Supporting Reference Compounds 25 E-value 0.700643
Click to view 3D structure	Histidinol dehydrogenase	P06988	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.338 Applicability Domain 0.349 Statistical Significance 3.70e-04 Supporting Reference Compounds 2 E-value 2.88042
Click to view 3D structure	Histidine decarboxylase	P16453	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.333 Statistical Significance 5.50e-04 Supporting Reference Compounds 1 E-value 4.28171
Click to view 3D structure	Glutamate receptor ionotropic, kainate 3	P42264	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.349 Statistical Significance 4.90e-04 Supporting Reference Compounds 26 E-value 3.81461
Click to view 3D structure	Glutamate receptor ionotropic, kainate 5	Q16478	Humans	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 0.349 Statistical Significance 2.00e-04 Supporting Reference Compounds 17 E-value 1.55698
Click to view 3D structure	Glutamate receptor 1	P23818	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 0.349 Statistical Significance 4.00e-05 Supporting Reference Compounds 3 E-value 0.311397
Click to view 3D structure	Glutamate receptor ionotropic kainate 2	B9V8S1	Xenopus laevis	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.326 Statistical Significance 2.00e-05 Supporting Reference Compounds 2 E-value 0.155698
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.341 Statistical Significance 0.0029 Supporting Reference Compounds 85 E-value 22.4206
Click to view 3D structure	Glutamate receptor ionotropic, kainate 2	P42260	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.349 Statistical Significance 3.80e-04 Supporting Reference Compounds 18 E-value 2.95827
Click to view 3D structure	Glutamate transporter homolog	O59010	Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 2.50e-04 Supporting Reference Compounds 3 E-value 1.94623
Click to view 3D structure	Metabotropic glutamate receptor 8	P47743	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.314 Statistical Significance 4.70e-04 Supporting Reference Compounds 2 E-value 3.65891
Click to view 3D structure	Histidinol dehydrogenase	Q8G2R2	Brucella suis biovar 1 (strain 1330)	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.327 Statistical Significance 5.40e-04 Supporting Reference Compounds 3 E-value 4.20386
Click to view 3D structure	Histidinol dehydrogenase, chloroplastic	P24226	Brassica oleracea var. capitata	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.327 Statistical Significance 5.90e-04 Supporting Reference Compounds 3 E-value 4.5931
Click to view 3D structure	Excitatory amino acid transporter 3	P43005	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.314 Statistical Significance 9.30e-04 Supporting Reference Compounds 13 E-value 7.23998