Basic information
- CAS
63197-11-5- Standard SMILES
Nc1ncc(Br)[n+]([O-])n1- InChIKey
LIGQWBWQUPQPSJ-UHFFFAOYSA-N- Molecular formula
- C3H3BrN4O
- Average molar mass
- 190.99 g/mol
- Monoisotopic mass
- 189.94902
Names & identifiers
- Preferred name
- 6-Bromo-1-oxo-1lambda~5~,2,4-triazin-3-amine
- IUPAC
- 6-bromo-1-oxido-1,2,4-triazin-1-ium-3-amine
Names & synonyms
63197-11-5DTXSID604952366-Bromo-1-oxo-1lambda~5~,2,4-triazin-3-amineRefChem:307332DTXCID60446046
Database identifiers
- CAS
63197-11-5- PubChem CID
- 12377843
- DTXSID
DTXSID60495236
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 102
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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