Basic information
- CAS
61178-07-2- Standard SMILES
CN(C)c1ncc[n+]([O-])n1- InChIKey
CLJABRBLIXLXLW-UHFFFAOYSA-N- Molecular formula
- C5H8N4O
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.06981089
Names & identifiers
- Preferred name
- N,N-Dimethyl-1-oxo-1lambda~5~,2,4-triazin-3-amine
- IUPAC
- N,N-dimethyl-1-oxido-1,2,4-triazin-1-ium-3-amine
Names & synonyms
61178-07-2DTXSID80495233N,N-Dimethyl-1-oxo-1lambda~5~,2,4-triazin-3-amineRefChem:359181DTXCID80446043
Database identifiers
- CAS
61178-07-2- PubChem CID
- 12377839
- DTXSID
DTXSID80495233
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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