2-[4-[(7-Oxo-5-Propyl-1H-[1,2,4]Triazolo[4,3-a]Pyrimidin-6-Yl)Methyl]Phenyl]Benzamide
[CAS# 168152-96-3]

Identification

• Name: 2-[4-[(7-Oxo-5-Propyl-1H-[1,2,4]Triazolo[4,3-a]Pyrimidin-6-Yl)Methyl]Phenyl]Benzamide
• Synonyms: 2-[4-[(7-Keto-5-Propyl-1H-[1,2,4]Triazolo[4,3-A]Pyrimidin-6-Yl)Methyl]Phenyl]Benzamide; (1,1'-Biphenyl)-2-Carboxamide, 4'-((1,7-Dihydro-7-Oxo-5-Propyl-1,2,4-Triazolo(4,3-A)Pyrimidin-6-Yl)Methyl)-
• Molecular Formula: C₂₂H₂₁N₅O₂
• Molecular Weight: 387.44
• CAS Registry Number: 168152-96-3
• SMILES: C3=C(CC1=C(N2C(=NC1=O)NN=C2)CCC)C=CC(=C3)C4=CC=CC=C4C(=O)N
• InChI: 1S/C22H21N5O2/c1-2-5-19-18(21(29)25-22-26-24-13-27(19)22)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)20(23)28/h3-4,6-11,13H,2,5,12H2,1H3,(H2,23,28)(H,25,26,29)
• InChIKey: WNFVZZVKAUYMFL-UHFFFAOYSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 593.574°C at 760 mmHg (Cal.)
• Flash point: 312.783°C (Cal.)