Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide
Basic information
- CAS
60026-34-8- Standard SMILES
Cc1nn(C)c2nc(=O)n(C)c(=O)c-2[n+]1[O-]- InChIKey
QBKUQDKGVOGZRP-UHFFFAOYSA-N- Molecular formula
- C8H9N5O3
- Average molar mass
- 223.19 g/mol
- Monoisotopic mass
- 223.07053917
Names & identifiers
- Preferred name
- Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide
- IUPAC
- 1,3,6-trimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Names & synonyms
60026-34-8Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxideNSC-280172NSC2801721,3,6-trimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dioneA2ML9U5EZ4SCHEMBL3474651DTXSID502087311,3,6-trimethyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione1,3,6-Trimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione1,3,6-trimethyl-5,7-dioxo-1H,5H,6H,7H-pyrimido[5,4-e][1,2,4]triazin-4-ium-4-olatePyrimido(5,4-e)-1,2,4-triazine-5,7-(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide
Database identifiers
- CAS
60026-34-8- PubChem CID
- 322476
- DTXSID
DTXSID50208731- UNII
- A2ML9U5EZ4
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 490
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Compound notes
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