3TR

3-AMINO-1,2,4-TRIAZOLE

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

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8 entries where 3TR is found as a standalone ligand2 entries where 3TR is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	10
Chiral Atom Count	0
Bond Count	10
Aromatic Bond Count	5

2D diagram of 3TR

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Chemical Component Summary
Name	3-AMINO-1,2,4-TRIAZOLE
Synonyms	AMITROLE
Systematic Name (OpenEye OEToolkits)	1H-1,2,4-triazol-3-amine
Formula	C₂ H₄ N₄
Molecular Weight	84.08
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(nnc1)N
SMILES	CACTVS	3.341	Nc1n[nH]cn1
SMILES	OpenEye OEToolkits	1.5.0	c1[nH]nc(n1)N
Canonical SMILES	CACTVS	3.341	Nc1n[nH]cn1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1[nH]nc(n1)N
InChI	InChI	1.03	InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKey	InChI	1.03	KLSJWNVTNUYHDU-UHFFFAOYSA-N

Related Resource References

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

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