7-Propyl-6-[[4-[3-(2H-Tetrazol-5-Yl)Pyridin-2-Yl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidin-5-One
[CAS# 168152-81-6]

Identification

• Name: 7-Propyl-6-[[4-[3-(2H-Tetrazol-5-Yl)Pyridin-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-Pyridyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One; 7-Propyl-6-[4-[3-(2H-Tetrazol-5-Yl)-2-Pyridyl]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)Pyridin-2-Yl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One
• Molecular Formula: C₂₁H₁₉N₉O
• Molecular Weight: 413.44
• CAS Registry Number: 168152-81-6
• SMILES: C3=C(CC2=C(N1NC=NC1=NC2=O)CCC)C=CC(=C3)C4=C(C=CC=N4)C5=N[NH]N=N5
• InChI: 1S/C21H19N9O/c1-2-4-17-16(20(31)25-21-23-12-24-30(17)21)11-13-6-8-14(9-7-13)18-15(5-3-10-22-18)19-26-28-29-27-19/h3,5-10,12H,2,4,11H2,1H3,(H,23,24,25,31)(H,26,27,28,29)
• InChIKey: NZPNRSMNEHXBCZ-UHFFFAOYSA-N

Properties

• Density: 1.516g/cm³ (Cal.)
• Boiling point: 660.682°C at 760 mmHg (Cal.)
• Flash point: 353.368°C (Cal.)