3-[6-(1-azanylpropyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]benzenecarbonitrile

Systemtic Name: 3-[6-(1-azanylpropyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]benzenecarbonitrile Openeye Name: 3-[6-(1-aminopropyl)-5-oxo-2H-1,2,4-triazin-3-yl]benzonitrile CAS Name: 3-[6-(1-aminopropyl)-5-oxo-2H-1,2,4-triazin-3-yl]benzonitrile IUPAC Name: 3-[6-(1-aminopropyl)-5-oxo-2H-1,2,4-triazin-3-yl]benzonitrile Traditional Name: 3-[6-(1-aminopropyl)-5-keto-2H-1,2,4-triazin-3-yl]benzonitrile Formula: C13H13N5O MolecularWeight: 255.27522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NNC(=NC1=O)C2=CC=CC(=C2)C#N)N

Isomeric SMILES

CCC(C1=NNC(=NC1=O)C2=CC=CC(=C2)C#N)N

InChI

InChI=1S/C13H13N5O/c1-2-10(15)11-13(19)16-12(18-17-11)9-5-3-4-8(6-9)7-14/h3-6,10H,2,15H2,1H3,(H,16,18,19)