1,2-Dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
[CAS# 90993-87-6]

Identification

• Name: 1,2-Dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
• Synonyms: 1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one
• Molecular Formula: C₅H₄N₄O
• Molecular Weight: 136.11
• CAS Registry Number: 90993-87-6
• SMILES: C1=C2C(=NC=N1)NNC2=O
• InChI: 1S/C5H4N4O/c10-5-3-1-6-2-7-4(3)8-9-5/h1-2H,(H2,6,7,8,9,10)
• InChIKey: JTNQNHQPENYUGB-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 243.4±9.0°C at 760 mmHg (Cal.)
• Flash point: 101.0±18.7°C (Cal.)