3TR

3-AMINO-1,2,4-TRIAZOLE

Created:2004-06-09
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count10
Chiral Atom Count0
Bond Count10
Aromatic Bond Count5
2D diagram of 3TR

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Chemical Component Summary

Name3-AMINO-1,2,4-TRIAZOLE
SynonymsAMITROLE
Systematic Name (OpenEye OEToolkits)1H-1,2,4-triazol-3-amine
FormulaC2 H4 N4
Molecular Weight84.08
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1c(nnc1)N
SMILESCACTVS3.341Nc1n[nH]cn1
SMILESOpenEye OEToolkits1.5.0c1[nH]nc(n1)N
Canonical SMILESCACTVS3.341 Nc1n[nH]cn1
Canonical SMILESOpenEye OEToolkits1.5.0 c1[nH]nc(n1)N
InChIInChI1.03 InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKeyInChI1.03 KLSJWNVTNUYHDU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 1639
ChEMBL CHEMBL232801
ChEBI CHEBI:40036
CCDC/CSD BAFBAN, ZUBNOB