3-Methoxy-1-oxo-1lambda~5~,2,4-triazine
Basic information
- CAS
27531-67-5- Standard SMILES
COc1ncc[n+]([O-])n1- InChIKey
KGTNKCIYPGMSCQ-UHFFFAOYSA-N- Molecular formula
- C4H5N3O2
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.03817641
Names & identifiers
- Preferred name
- 3-Methoxy-1-oxo-1lambda~5~,2,4-triazine
- IUPAC
- 3-methoxy-1-oxido-1,2,4-triazin-1-ium
Names & synonyms
3-Methoxy-1-oxo-1lambda~5~,2,4-triazine27531-67-5DTXSID40313727RefChem:280317DTXCID90264851NSC276291NSC-276291
Database identifiers
- CAS
27531-67-5- PubChem CID
- 321840
- DTXSID
DTXSID40313727- Nikkaji
- J765.086H
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89.9
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Compound notes
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