N3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine Openeye Name: N3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine CAS Name: N3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-1H-1,2,4-triazol-3-yl)-(4-chlorobenzyl)amine Formula: C9H10ClN5 MolecularWeight: 223.6622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NNC(=N2)N)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=NNC(=N2)N)Cl

InChI

InChI=1S/C9H10ClN5/c10-7-3-1-6(2-4-7)5-12-9-13-8(11)14-15-9/h1-4H,5H2,(H4,11,12,13,14,15)