1-(4-imidazol-1-ylphenyl)-1,2,4-triazole-3,5-diamine

Systemtic Name: 1-(4-imidazol-1-ylphenyl)-1,2,4-triazole-3,5-diamine Openeye Name: 1-(4-imidazol-1-ylphenyl)-1,2,4-triazole-3,5-diamine CAS Name: 1-[4-(1-imidazolyl)phenyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-(4-imidazol-1-ylphenyl)-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-(4-imidazol-1-ylphenyl)-1,2,4-triazol-3-yl]amine Formula: C11H11N7 MolecularWeight: 241.25194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=CN=C2)N3C(=NC(=N3)N)N

Isomeric SMILES

C1=CC(=CC=C1N2C=CN=C2)N3C(=NC(=N3)N)N

InChI

InChI=1S/C11H11N7/c12-10-15-11(13)18(16-10)9-3-1-8(2-4-9)17-6-5-14-7-17/h1-7H,(H4,12,13,15,16)