2-Methyl-4,5-dinitro-1-oxo-2H-1lambda~5~,2,3-triazole
Basic information
- CAS
109299-62-9- Standard SMILES
Cn1nc([N+](=O)[O-])c([N+](=O)[O-])[n+]1[O-]- InChIKey
NGLWECRWOUVRTR-UHFFFAOYSA-N- Molecular formula
- C3H3N5O5
- Average molar mass
- 189.09 g/mol
- Monoisotopic mass
- 189.01341821
Names & identifiers
- Preferred name
- 2-Methyl-4,5-dinitro-1-oxo-2H-1lambda~5~,2,3-triazole
- IUPAC
- 2-methyl-4,5-dinitro-1-oxidotriazol-1-ium
Names & synonyms
109299-62-9DTXSID205451002-Methyl-4,5-dinitro-1-oxo-2H-1lambda~5~,2,3-triazoleRefChem:263346DTXCID904958852-methyl-4,5-dinitro-1,2,3-triazole 1-oxide
Database identifiers
- CAS
109299-62-9- PubChem CID
- 13616163
- DTXSID
DTXSID20545100
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
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Compound notes
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