7-Propyl-6-[[4-[3-(2H-Tetrazol-5-Yl)Thiophen-2-Yl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidin-5-One
[CAS# 168152-80-5]

Identification

• Name: 7-Propyl-6-[[4-[3-(2H-Tetrazol-5-Yl)Thiophen-2-Yl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidin-5-One
• Synonyms: 7-Propyl-6-[[4-[3-(2H-Tetrazol-5-Yl)-2-Thienyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One; 7-Propyl-6-[4-[3-(2H-Tetrazol-5-Yl)-2-Thienyl]Benzyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One; 7-Propyl-6-[[4-[3-(2H-1,2,3,4-Tetrazol-5-Yl)Thiophen-2-Yl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One
• Molecular Formula: C₂₀H₁₈N₈OS
• Molecular Weight: 418.48
• CAS Registry Number: 168152-80-5
• SMILES: C3=C(CC2=C(N1NC=NC1=NC2=O)CCC)C=CC(=C3)C4=C(C=CS4)C5=N[NH]N=N5
• InChI: 1S/C20H18N8OS/c1-2-3-16-15(19(29)23-20-21-11-22-28(16)20)10-12-4-6-13(7-5-12)17-14(8-9-30-17)18-24-26-27-25-18/h4-9,11H,2-3,10H2,1H3,(H,21,22,23,29)(H,24,25,26,27)
• InChIKey: BTQWTLHWMRGPRY-UHFFFAOYSA-N

Properties

• Density: 1.571g/cm³ (Cal.)
• Boiling point: 649.914°C at 760 mmHg (Cal.)
• Flash point: 346.856°C (Cal.)