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

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-(4-nitrophenyl)-1-piperazinyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[4-(4-nitrophenyl)piperazino]-1H-1,2,4-triazol-5-yl]amine Formula: C12H15N7O2 MolecularWeight: 289.2932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NNC(=N3)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NNC(=N3)N

InChI

InChI=1S/C12H15N7O2/c13-11-14-12(16-15-11)18-7-5-17(6-8-18)9-1-3-10(4-2-9)19(20)21/h1-4H,5-8H2,(H3,13,14,15,16)