4-(3-azanyl-1,2,4-triazin-5-yl)benzoic acid

Systemtic Name: 4-(3-azanyl-1,2,4-triazin-5-yl)benzoic acid Openeye Name: 4-(3-amino-1,2,4-triazin-5-yl)benzoic acid CAS Name: 4-(3-amino-1,2,4-triazin-5-yl)benzoic acid IUPAC Name: 4-(3-amino-1,2,4-triazin-5-yl)benzoic acid Traditional Name: 4-(3-amino-1,2,4-triazin-5-yl)benzoic acid Formula: C10H8N4O2 MolecularWeight: 216.19612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=NC(=N2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CN=NC(=N2)N)C(=O)O

InChI

InChI=1S/C10H8N4O2/c11-10-13-8(5-12-14-10)6-1-3-7(4-2-6)9(15)16/h1-5H,(H,15,16)(H2,11,13,14)