5-octyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-octyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-octyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-octyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-octyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-octyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C13H20N4O MolecularWeight: 248.3241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=O)N2C(=N1)N=CN2

Isomeric SMILES

CCCCCCCCC1=CC(=O)N2C(=N1)N=CN2

InChI

InChI=1S/C13H20N4O/c1-2-3-4-5-6-7-8-11-9-12(18)17-13(16-11)14-10-15-17/h9-10H,2-8H2,1H3,(H,14,15,16)