5-(2-piperazine-1,4-diium-1-ylethylamino)-2H-1,2,4-triazin-3-one

Systemtic Name: 5-(2-piperazine-1,4-diium-1-ylethylamino)-2H-1,2,4-triazin-3-one Openeye Name: 5-(2-piperazine-1,4-diium-1-ylethylamino)-2H-1,2,4-triazin-3-one CAS Name: 5-[2-(1-piperazine-1,4-diiumyl)ethylamino]-2H-1,2,4-triazin-3-one IUPAC Name: 5-(2-piperazine-1,4-diium-1-ylethylamino)-2H-1,2,4-triazin-3-one Traditional Name: 5-(2-piperazine-1,4-diium-1-ylethylamino)-2H-1,2,4-triazin-3-one Formula: C9H18N6O+2 MolecularWeight: 226.27882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCNC2=NC(=O)NN=C2

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCNC2=NC(=O)NN=C2

InChI

InChI=1S/C9H16N6O/c16-9-13-8(7-12-14-9)11-3-6-15-4-1-10-2-5-15/h7,10H,1-6H2,(H2,11,13,14,16)/p+2