2-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 2-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-3-one CAS Name: 2-[4-(1-piperazinyl)phenyl]-1H-1,2,4-triazol-3-one IUPAC Name: 2-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(4-piperazinophenyl)-1H-1,2,4-triazol-3-one Formula: C12H15N5O MolecularWeight: 245.2804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)N3C(=O)N=CN3

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)N3C(=O)N=CN3

InChI

InChI=1S/C12H15N5O/c18-12-14-9-15-17(12)11-3-1-10(2-4-11)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2,(H,14,15,18)