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

Systemtic Name: 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-[(3,4-dichlorophenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[4-(3,4-dichlorobenzyl)piperazino]-1H-1,2,4-triazol-5-yl]amine Formula: C13H16Cl2N6 MolecularWeight: 327.21234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl2N6/c14-10-2-1-9(7-11(10)15)8-20-3-5-21(6-4-20)13-17-12(16)18-19-13/h1-2,7H,3-6,8H2,(H3,16,17,18,19)