Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(4-chlorophenyl)-1,6-dimethyl-, 4-oxide
Basic information
- CAS
32496-15-4- Standard SMILES
Cn1nc(-c2ccc(Cl)cc2)[n+]([O-])c2c(=O)n(C)c(=O)nc1-2- InChIKey
FCHMPTHHYWWGLD-UHFFFAOYSA-N- Molecular formula
- C13H10ClN5O3
- Average molar mass
- 319.7 g/mol
- Monoisotopic mass
- 319.0472169
Names & identifiers
- Preferred name
- Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(4-chlorophenyl)-1,6-dimethyl-, 4-oxide
- IUPAC
- 3-(4-chlorophenyl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Names & synonyms
32496-15-4NSC-280176NSC280176L5MPN7X4B7Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(4-chlorophenyl)-1,6-dimethyl-, 4-oxideSCHEMBL13492890DTXSID301862203-(4-chlorophenyl)-1,6-dimethyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione3-(4-Chlorophenyl)-1,6-dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dionePyrimido 1,2,4-triazine-5,7(1H,6H)-dione, 3-(4-chlorophenyl)-1,6-dimethyl-, 4-oxide, (5,4-E)-Pyrimido(5,4-e)-1,2,4-triazine-5,7-(1H,6H)-dione, 3-(4-chlorophenyl)-1,6-dimethyl-, 4-oxide
Database identifiers
- CAS
32496-15-4- PubChem CID
- 322480
- DTXSID
DTXSID30186220- UNII
- L5MPN7X4B7
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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