2-(Hydroxymethyl)-7-Propyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidin-5-One
[CAS# 168152-84-9]

Identification

• Name: 2-(Hydroxymethyl)-7-Propyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidin-5-One
• Synonyms: 2-Methylol-7-Propyl-6-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One; 2-(Hydroxymethyl)-7-Propyl-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, 2-(Hydroxymethyl)-7-Propyl-6-((2'-(1H-Tetrazol-5-Yl)(1,1'-Biphenyl)-4-Yl)Methyl)-
• Molecular Formula: C₂₃H₂₂N₈O₂
• Molecular Weight: 442.48
• CAS Registry Number: 168152-84-9
• SMILES: C3=C(CC2=C(N1NC(=NC1=NC2=O)CO)CCC)C=CC(=C3)C4=CC=CC=C4C5=N[NH]N=N5
• InChI: 1S/C23H22N8O2/c1-2-5-19-18(22(33)25-23-24-20(13-32)28-31(19)23)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21-26-29-30-27-21/h3-4,6-11,32H,2,5,12-13H2,1H3,(H,24,25,28,33)(H,26,27,29,30)
• InChIKey: JAORJSKECDGATP-UHFFFAOYSA-N

Properties

• Density: 1.488g/cm³ (Cal.)
• Boiling point: 688.517°C at 760 mmHg (Cal.)
• Flash point: 370.202°C (Cal.)