7-(Hydroxymethyl)-6-[[2'-(2H-Tetrazol-5-Yl)[1,1'-Biphenyl]-4-Yl]Methyl]-[1,2,4]Triazolo[1,5-a]Pyrimidin-5(1H)-One
[CAS# 168153-00-2]

Identification

• Name: 7-(Hydroxymethyl)-6-[[2'-(2H-Tetrazol-5-Yl)[1,1'-Biphenyl]-4-Yl]Methyl]-[1,2,4]Triazolo[1,5-a]Pyrimidin-5(1H)-One
• Synonyms: 7-Methylol-6-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One; 7-(Hydroxymethyl)-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-(Hydroxymethyl)-6-((2'-(1H-Tetrazol-5-Yl)(1,1'-Biphenyl)-4-Yl)Methyl)-
• Molecular Formula: C₂₀H₁₆N₈O₂
• Molecular Weight: 400.40
• CAS Registry Number: 168153-00-2
• SMILES: C3=C(CC2=C(N1NC=NC1=NC2=O)CO)C=CC(=C3)C4=CC=CC=C4C5=N[NH]N=N5
• InChI: 1S/C20H16N8O2/c29-10-17-16(19(30)23-20-21-11-22-28(17)20)9-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-24-26-27-25-18/h1-8,11,29H,9-10H2,(H,21,22,23,30)(H,24,25,26,27)
• InChIKey: RDDHQCVFOXNLEM-UHFFFAOYSA-N

Properties

• Density: 1.601g/cm³ (Cal.)
• Boiling point: 698.458°C at 760 mmHg (Cal.)
• Flash point: 376.214°C (Cal.)