2-Methyl-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# 168152-82-7]

Identification

• Name: 2-Methyl-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: 2-Methyl-7-Propyl-6-[[4-[3-(2H-Tetrazol-5-Yl)-2-Thienyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One; 2-Methyl-7-Propyl-6-[4-[3-(2H-Tetrazol-5-Yl)-2-Thienyl]Benzyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One; 2-Methyl-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: C₂₁H₂₀N₈OS
• Molecular Weight: 432.50
• CAS Registry Number: 168152-82-7
• SMILES: C3=C(CC2=C(N1NC(=NC1=NC2=O)C)CCC)C=CC(=C3)C4=C(C=CS4)C5=N[NH]N=N5
• InChI: 1S/C21H20N8OS/c1-3-4-17-16(20(30)23-21-22-12(2)26-29(17)21)11-13-5-7-14(8-6-13)18-15(9-10-31-18)19-24-27-28-25-19/h5-10H,3-4,11H2,1-2H3,(H,22,23,26,30)(H,24,25,27,28)
• InChIKey: DRMGKOMHHBBKDH-UHFFFAOYSA-N

Properties

• Density: 1.536g/cm³ (Cal.)
• Boiling point: 650.976°C at 760 mmHg (Cal.)
• Flash point: 347.498°C (Cal.)