3-Ethyl-6,8-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Basic information
- CAS
63069-55-6- Standard SMILES
CCc1nnc2c(c(=O)n(C)c(=O)n2C)[n+]1[O-]- InChIKey
ZLUAHLSBWOZGNE-UHFFFAOYSA-N- Molecular formula
- C9H11N5O3
- Average molar mass
- 237.22 g/mol
- Monoisotopic mass
- 237.08618923
Names & identifiers
- Preferred name
- 3-Ethyl-6,8-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
- IUPAC
- 3-ethyl-6,8-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Names & synonyms
NSC29280963069-55-6DTXSID70315173NSC-2928093-Ethyl-6,8-dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
Database identifiers
- CAS
63069-55-6- PubChem CID
- 325098
- DTXSID
DTXSID70315173
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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