1,4-Dihydro-7H-Pyrazolo[4,3-d]Pyrimidin-7-One
[CAS# 13877-55-9]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Hydroxypyrimidine
• Name: 1,4-Dihydro-7H-Pyrazolo[4,3-d]Pyrimidin-7-One
• Synonyms: 7H-Pyrazolo(4,3-D)Pyrimidin-7-One, 1,4-Dihydro-; Allopurinol (Jp15/Usp/Inn); D00224
• Molecular Formula: C₅H₄N₄O
• Molecular Weight: 136.11
• CAS Registry Number: 13877-55-9
• SMILES: C1=N[NH]C2=C1NC=NC2=O
• InChI: 1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)
• InChIKey: JFZSDNLQDTYVEE-UHFFFAOYSA-N

Properties

• Density: 1.892g/cm³ (Cal.)
• Boiling point: 463.5°C at 760 mmHg (Cal.)
• Flash point: 234.117°C (Cal.)