3,6-Dihydro-3-(Phenylmethyl)-7H-1,2,3-Triazolo[4,5-d]Pyrimidin-7-One
[CAS# 21324-31-2]

Identification

• Name: 3,6-Dihydro-3-(Phenylmethyl)-7H-1,2,3-Triazolo[4,5-d]Pyrimidin-7-One
• Synonyms: 3-(Benzyl)-2H-Triazolo[4,5-E]Pyrimidin-7-One; 3-(Phenylmethyl)-2H-[1,2,3]Triazolo[4,5-E]Pyrimidin-7-One; Eu-0086025
• Molecular Formula: C₁₁H₉N₅O
• Molecular Weight: 227.23
• CAS Registry Number: 21324-31-2
• SMILES: C3=C(CN1NN=C2C1=NC=NC2=O)C=CC=C3
• InChI: 1S/C11H9N5O/c17-11-9-10(12-7-13-11)16(15-14-9)6-8-4-2-1-3-5-8/h1-5,7,15H,6H2
• InChIKey: DLAHUEOESTWKQX-UHFFFAOYSA-N

Properties

• Density: 1.504g/cm³ (Cal.)
• Boiling point: 361.107°C at 760 mmHg (Cal.)
• Flash point: 172.192°C (Cal.)