4-[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]benzoic acid

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]benzoic acid Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzoic acid CAS Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzoic acid IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzoic acid Traditional Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzoic acid Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NNC(=N2)N

InChI

InChI=1S/C9H9N5O2/c10-8-12-9(14-13-8)11-6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)(H4,10,11,12,13,14)