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

Systemtic Name: 3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[4-(3,4,5-trimethoxybenzyl)piperazino]-1H-1,2,4-triazol-5-yl]amine Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=NNC(=N3)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=NNC(=N3)N

InChI

InChI=1S/C16H24N6O3/c1-23-12-8-11(9-13(24-2)14(12)25-3)10-21-4-6-22(7-5-21)16-18-15(17)19-20-16/h8-9H,4-7,10H2,1-3H3,(H3,17,18,19,20)