3,5,8-Trimethyl-1-Phenyl-6H-Pyrazolo[4,5-f][1,4]Diazepine-4,7-Dione
[CAS# 126567-68-8]

Identification

• Name: 3,5,8-Trimethyl-1-Phenyl-6H-Pyrazolo[4,5-f][1,4]Diazepine-4,7-Dione
• Synonyms: 3,5,8-Trimethyl-1-Phenyl-6H-Pyrazolo[4,5-F][1,4]Diazepine-4,7-Quinone; 1-Pthpdd; Pyrazolo(3,4-E)(1,4)Diazepine-4,7-Dione, 1,5,6,8-Tetrahydro-3,5,8-Trimethyl-1-Phenyl-
• Molecular Formula: C₁₅H₁₆N₄O₂
• Molecular Weight: 284.32
• CAS Registry Number: 126567-68-8
• SMILES: C3=C([N]1N=C(C2=C1N(C(=O)CN(C2=O)C)C)C)C=CC=C3
• InChI: 1S/C15H16N4O2/c1-10-13-14(18(3)12(20)9-17(2)15(13)21)19(16-10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
• InChIKey: GGPMTVNYXSXKOJ-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 583.701°C at 760 mmHg (Cal.)
• Flash point: 306.811°C (Cal.)