7-(Phenylmethoxymethyl)-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidin-5-One
[CAS# 168152-93-0]

Identification

• Name: 7-(Phenylmethoxymethyl)-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidin-5-One
• Synonyms: 7-(Benzyloxymethyl)-6-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One; 7-(Phenylmethoxymethyl)-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-((Phenylmethoxy)Methyl)-6-((2'-(1H-Tetrazol-5-Yl)(1,1'-Biphenyl)-4-Yl)Methyl)-
• Molecular Formula: C₂₇H₂₂N₈O₂
• Molecular Weight: 490.52
• CAS Registry Number: 168152-93-0
• SMILES: C4=C(CC2=C(N1NC=NC1=NC2=O)COCC3=CC=CC=C3)C=CC(=C4)C5=CC=CC=C5C6=N[NH]N=N6
• InChI: 1S/C27H22N8O2/c36-26-23(24(35-27(30-26)28-17-29-35)16-37-15-19-6-2-1-3-7-19)14-18-10-12-20(13-11-18)21-8-4-5-9-22(21)25-31-33-34-32-25/h1-13,17H,14-16H2,(H,28,29,30,36)(H,31,32,33,34)
• InChIKey: YJLJGOGRDUCEET-UHFFFAOYSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 716.369°C at 760 mmHg (Cal.)
• Flash point: 387.046°C (Cal.)