3-[4-(phenylmethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-(4-benzylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(4-benzylpiperazino)-1H-1,2,4-triazol-5-yl]amine Formula: C13H18N6 MolecularWeight: 258.32222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NNC(=N3)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NNC(=N3)N

InChI

InChI=1S/C13H18N6/c14-12-15-13(17-16-12)19-8-6-18(7-9-19)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H3,14,15,16,17)