2-Amino-7-Propyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidin-5-One
[CAS# 168152-76-9]

Identification

• Name: 2-Amino-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-Amino-7-Propyl-6-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-5-One; 2-Amino-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-Amino-7-Propyl-6-((2'-(1H-Tetrazol-5-Yl)(1,1'-Biphenyl)-4-Yl)Methyl)-
• Molecular Formula: C₂₂H₂₁N₉O
• Molecular Weight: 427.47
• CAS Registry Number: 168152-76-9
• SMILES: C3=C(CC2=C(N1NC(=NC1=NC2=O)N)CCC)C=CC(=C3)C4=CC=CC=C4C5=N[NH]N=N5
• InChI: 1S/C22H21N9O/c1-2-5-18-17(20(32)24-22-25-21(23)28-31(18)22)12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)19-26-29-30-27-19/h3-4,6-11H,2,5,12H2,1H3,(H,26,27,29,30)(H3,23,24,25,28,32)
• InChIKey: FPYYWHOTLSLBSR-UHFFFAOYSA-N

Properties

• Density: 1.522g/cm³ (Cal.)
• Boiling point: 680.363°C at 760 mmHg (Cal.)
• Flash point: 365.271°C (Cal.)