7-(Methoxymethyl)-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidin-5-One
[CAS# 168152-85-0]

Identification

• Name: 7-(Methoxymethyl)-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidin-5-One
• Synonyms: 7-(Methoxymethyl)-6-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One; 7-(Methoxymethyl)-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-(Methoxymethyl)-6-((2'-(1H-Tetrazol-5-Yl)(1,1'-Biphenyl)-4-Yl)Methyl)-
• Molecular Formula: C₂₁H₁₈N₈O₂
• Molecular Weight: 414.43
• CAS Registry Number: 168152-85-0
• SMILES: C3=C(CC2=C(N1NC=NC1=NC2=O)COC)C=CC(=C3)C4=CC=CC=C4C5=N[NH]N=N5
• InChI: 1S/C21H18N8O2/c1-31-11-18-17(20(30)24-21-22-12-23-29(18)21)10-13-6-8-14(9-7-13)15-4-2-3-5-16(15)19-25-27-28-26-19/h2-9,12H,10-11H2,1H3,(H,22,23,24,30)(H,25,26,27,28)
• InChIKey: QBARSNQPRQXTGO-UHFFFAOYSA-N

Properties

• Density: 1.51g/cm³ (Cal.)
• Boiling point: 649.214°C at 760 mmHg (Cal.)
• Flash point: 346.433°C (Cal.)