7-Propyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[3,4-b]Pyrimidin-5-One
[CAS# 151327-13-8]

Identification

• Name: 7-Propyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[3,4-b]Pyrimidin-5-One
• Synonyms: 7-Propyl-6-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]-1H-[1,2,4]Triazolo[3,4-B]Pyrimidin-5-One; 7-Propyl-6-[[4-[2-(2H-1,2,3,4-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[3,4-B]Pyrimidin-5-One; (1,2,4)Triazolo(4,3-A)Pyrimidin-5-Ol, 7-Propyl-6-((2'-(1H-Tetrazol-5-Yl)(1,1'-Biphenyl)-4-Yl)Methyl)-
• Molecular Formula: C₂₂H₂₀N₈O
• Molecular Weight: 412.45
• CAS Registry Number: 151327-13-8
• SMILES: C3=C(CC1=C(N=C2N(C1=O)C=NN2)CCC)C=CC(=C3)C4=CC=CC=C4C5=N[NH]N=N5
• InChI: 1S/C22H20N8O/c1-2-5-19-18(21(31)30-13-23-27-22(30)24-19)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)20-25-28-29-26-20/h3-4,6-11,13H,2,5,12H2,1H3,(H,24,27)(H,25,26,28,29)
• InChIKey: ONQSJAULSZBAGS-UHFFFAOYSA-N

Properties

• Density: 1.452g/cm³ (Cal.)
• Boiling point: 647.937°C at 760 mmHg (Cal.)
• Flash point: 345.66°C (Cal.)