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

Systemtic Name: 3-[4-[(2-bromophenyl)-(dimethylamino)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4-[(2-bromophenyl)-(dimethylamino)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-[(2-bromophenyl)-(dimethylamino)methyl]-1-piperazinyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4-[(2-bromophenyl)-(dimethylamino)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Traditional Name: [[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazino]-(2-bromophenyl)methyl]-dimethyl-amine Formula: C15H22BrN7 MolecularWeight: 380.28608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(C1=CC=CC=C1Br)N2CCN(CC2)C3=NNC(=N3)N

Isomeric SMILES

CN(C)C(C1=CC=CC=C1Br)N2CCN(CC2)C3=NNC(=N3)N

InChI

InChI=1S/C15H22BrN7/c1-21(2)13(11-5-3-4-6-12(11)16)22-7-9-23(10-8-22)15-18-14(17)19-20-15/h3-6,13H,7-10H2,1-2H3,(H3,17,18,19,20)