4-amino-n-(1,2,4-triazol-1-yl)benzamide (CED0316354)

Record Information

Version

1.0

Creation Date

2026-09-01 17:36:46 UTC

Update Date

2026-09-01 17:36:46 UTC

SynCED ID

CED0316354

Secondary Accession Numbers

CHEM362334

Identification

Common Name

4-amino-n-(1,2,4-triazol-1-yl)benzamide

Class

Small Molecule

Description

4-amino-n-(1,2,4-triazol-1-yl)benzamide is a chemical compound with the formula C9H9N5O. It has an average molecular weight of 203.20 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₉N₅O

Average Molecular Mass

Not Available

Monoisotopic Mass

203.081 g/mol

CAS Registry Number

63886-96-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC(=CC=C1C(=O)NN2C=NC=N2)N

InChI Identifier

InChI=1S/C9H9N5O/c10-8-3-1-7(2-4-8)9(15)13-14-6-11-5-12-14/h1-6H,10H2,(H,13,15)

InChI Key

IANLIXWJIDFXSI-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
1406.0 Log mg/kg [790:2500]	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
No Sources linked to this compound

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	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.31 Statistical Significance 0.0803 Supporting Reference Compounds 472 E-value 625.518
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.31 Statistical Significance 0.0662 Supporting Reference Compounds 407 E-value 515.673
Click to view 3D structure	Protective antigen	P13423	Bacillus anthracis	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.267 Low confidence Statistical Significance 0.0063 Supporting Reference Compounds 1 E-value 49.045
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.31 Statistical Significance 0.0822 Supporting Reference Compounds 372 E-value 639.687
Click to view 3D structure	Myeloperoxidase	P05164	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.333 Statistical Significance 0.0087 Supporting Reference Compounds 43 E-value 67.4953
Click to view 3D structure	D-aspartate oxidase	Q922Z0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.262 Low confidence Statistical Significance 3.60e-04 Supporting Reference Compounds 1 E-value 2.80257
Click to view 3D structure	D-aspartate oxidase	D3ZDM7	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.262 Low confidence Statistical Significance 3.60e-04 Supporting Reference Compounds 1 E-value 2.80257
Click to view 3D structure	tRNA (guanine-N(1)-)-methyltransferase	P0A873	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.293 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 2 E-value 10.6653
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.28 Low confidence Statistical Significance 0.2235 Supporting Reference Compounds 497 E-value 1740.24
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.265 Low confidence Statistical Significance 0.1035 Supporting Reference Compounds 332 E-value 805.973
Click to view 3D structure	Imidazoleglycerol-phosphate dehydratase	P0CO23	Cryptococcus neoformans var. neoformans B-3501A	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.255 Low confidence Statistical Significance 1.10e-04 Supporting Reference Compounds 1 E-value 0.856341
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.28 Low confidence Statistical Significance 0.2429 Supporting Reference Compounds 553 E-value 1891.04
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.271 Low confidence Statistical Significance 0.294 Supporting Reference Compounds 742 E-value 2288.46
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.265 Low confidence Statistical Significance 0.0251 Supporting Reference Compounds 64 E-value 195.635
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.271 Low confidence Statistical Significance 0.3071 Supporting Reference Compounds 668 E-value 2390.67
Click to view 3D structure	Allene oxide synthase, chloroplastic	Q96242	Arabidopsis thaliana	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.001 Supporting Reference Compounds 1 E-value 7.94062
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.333 Statistical Significance 0.4043 Supporting Reference Compounds 825 E-value 3147.13
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.263 Low confidence Statistical Significance 0.0114 Supporting Reference Compounds 38 E-value 89.0595
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.378 Statistical Significance 0.1956 Supporting Reference Compounds 406 E-value 1523.04
Click to view 3D structure	Death-associated protein kinase 3	O43293	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.271 Low confidence Statistical Significance 0.318 Supporting Reference Compounds 599 E-value 2475.53
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.271 Low confidence Statistical Significance 0.3755 Supporting Reference Compounds 807 E-value 2923.24
Click to view 3D structure	Serine/threonine-protein kinase TAO1	Q7L7X3	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.271 Low confidence Statistical Significance 0.331 Supporting Reference Compounds 620 E-value 2576.73
Click to view 3D structure	LIM domain kinase 1	P53667	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.271 Low confidence Statistical Significance 0.3113 Supporting Reference Compounds 565 E-value 2423.29
Click to view 3D structure	Coagulation factor XII	P00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.255 Low confidence Statistical Significance 0.0637 Supporting Reference Compounds 73 E-value 495.9
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.265 Low confidence Statistical Significance 0.0108 Supporting Reference Compounds 44 E-value 83.8436