7-Butyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidin-5-One
[CAS# 168152-75-8]

Identification

• Name: 7-Butyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidin-5-One
• Synonyms: 7-Butyl-6-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One; 7-Butyl-6-[[4-[2-(2H-1,2,3,4-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One; (1,2,4)Triazolo(1,5-A)Pyrimidin-5(1H)-One, 7-Butyl-6-((2'-(1H-Tetrazol-5-Yl)(1,1'-Biphenyl)-4-Yl)Methyl)-
• Molecular Formula: C₂₃H₂₂N₈O
• Molecular Weight: 426.48
• CAS Registry Number: 168152-75-8
• SMILES: C3=C(CC2=C(N1NC=NC1=NC2=O)CCCC)C=CC(=C3)C4=CC=CC=C4C5=N[NH]N=N5
• InChI: 1S/C23H22N8O/c1-2-3-8-20-19(22(32)26-23-24-14-25-31(20)23)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)21-27-29-30-28-21/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,24,25,26,32)(H,27,28,29,30)
• InChIKey: VPDYFKUXUUPPMD-UHFFFAOYSA-N

Properties

• Density: 1.421g/cm³ (Cal.)
• Boiling point: 653.855°C at 760 mmHg (Cal.)
• Flash point: 349.239°C (Cal.)