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

Systemtic Name: 3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[4-(2-chloro-4-fluoro-benzyl)piperazino]-1H-1,2,4-triazol-5-yl]amine Formula: C13H16ClFN6 MolecularWeight: 310.757743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClFN6/c14-11-7-10(15)2-1-9(11)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)