3,5,7,8,9-Pentazabicyclo[4.3.0]Nona-2,5,8-Trien-4-One
[CAS# 51141-43-6]

Identification

• Name: 3,5,7,8,9-Pentazabicyclo[4.3.0]Nona-2,5,8-Trien-4-One
• Synonyms: 2,3-Dihydro-[1,2,3]Triazolo[5,4-D]Pyrimidin-5-One; Nsc521719
• Molecular Formula: C₄H₃N₅O
• Molecular Weight: 137.10
• CAS Registry Number: 51141-43-6
• SMILES: O=C2N=C1NNN=C1C=N2
• InChI: 1S/C4H3N5O/c10-4-5-1-2-3(6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10)
• InChIKey: ODPJQZNJZWLTJH-UHFFFAOYSA-N

Properties

• Density: 2.263g/cm³ (Cal.)
• Boiling point: 228.057°C at 760 mmHg (Cal.)
• Flash point: 91.726°C (Cal.)

References

• (1): Ian Hale, Paul M. O'Neill, Neil G. Berry, Audrey Odom and Raman Sharma. The MEP pathway and the development of inhibitors as potential anti-infective agents, Med. Chem. Commun., 2012, 3, 418.