2-[5-(imidazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]aniline

Systemtic Name: 2-[5-(imidazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]aniline Openeye Name: 2-[5-(imidazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]aniline CAS Name: 2-[5-(1-imidazolylmethyl)-1H-1,2,4-triazol-3-yl]aniline IUPAC Name: 2-[5-(imidazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]aniline Traditional Name: [2-[5-(imidazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]amine Formula: C12H12N6 MolecularWeight: 240.26388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NNC(=N2)CN3C=CN=C3)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=NNC(=N2)CN3C=CN=C3)N

InChI

InChI=1S/C12H12N6/c13-10-4-2-1-3-9(10)12-15-11(16-17-12)7-18-6-5-14-8-18/h1-6,8H,7,13H2,(H,15,16,17)