Basic information
- CAS
63197-06-8- Standard SMILES
CNc1ncc[n+]([O-])n1- InChIKey
UQLQZVWSIUDBGM-UHFFFAOYSA-N- Molecular formula
- C4H6N4O
- Average molar mass
- 126.12 g/mol
- Monoisotopic mass
- 126.05416083
Names & identifiers
- Preferred name
- N-Methyl-1-oxo-1lambda~5~,2,4-triazin-3-amine
- IUPAC
- N-methyl-1-oxido-1,2,4-triazin-1-ium-3-amine
Names & synonyms
63197-06-8DTXSID20495232N-Methyl-1-oxo-1lambda~5~,2,4-triazin-3-amineRefChem:364394DTXCID20446042
Database identifiers
- CAS
63197-06-8- PubChem CID
- 12377838
- DTXSID
DTXSID20495232
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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