4-(6-piperazin-1-ylpyridin-3-yl)-1H-1,2,4-triazol-5-one dihydrobromide

Systemtic Name: 4-(6-piperazin-1-ylpyridin-3-yl)-1H-1,2,4-triazol-5-one dihydrobromide Openeye Name: 4-(6-piperazin-1-yl-3-pyridyl)-1H-1,2,4-triazol-5-one dihydrobromide CAS Name: 4-[6-(1-piperazinyl)-3-pyridinyl]-1H-1,2,4-triazol-5-one dihydrobromide IUPAC Name: 4-(6-piperazin-1-ylpyridin-3-yl)-1H-1,2,4-triazol-5-one dihydrobromide Traditional Name: 4-(6-piperazino-3-pyridyl)-1H-1,2,4-triazol-5-one dihydrobromide Formula: C11H16Br2N6O MolecularWeight: 408.09234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C(C=C2)N3C=NNC3=O.Br.Br

Isomeric SMILES

C1CN(CCN1)C2=NC=C(C=C2)N3C=NNC3=O.Br.Br

InChI

InChI=1S/C11H14N6O.2BrH/c18-11-15-14-8-17(11)9-1-2-10(13-7-9)16-5-3-12-4-6-16;;/h1-2,7-8,12H,3-6H2,(H,15,18);2*1H