Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 3-(4-(dimethylamino)phenyl)-6,8-dimethyl-, 4-oxide
Basic information
- CAS
60026-38-2- Standard SMILES
CN(C)c1ccc(-c2nnc3c(c(=O)n(C)c(=O)n3C)[n+]2[O-])cc1- InChIKey
GZSGEODELWDDLE-UHFFFAOYSA-N- Molecular formula
- C15H16N6O3
- Average molar mass
- 328.33 g/mol
- Monoisotopic mass
- 328.12838839
Names & identifiers
- Preferred name
- Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 3-(4-(dimethylamino)phenyl)-6,8-dimethyl-, 4-oxide
- IUPAC
- 3-[4-(dimethylamino)phenyl]-6,8-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Names & synonyms
60026-38-2NSC 280307NSC280307NSC-280307Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 3-(4-(dimethylamino)phenyl)-6,8-dimethyl-, 4-oxidePyrimido[5,4-e]-1,2,4-triazine-5,7(6H,8H)-dione, 3-[4-(dimethylamino)phenyl]-6,8-dimethyl-, 4-oxideUC8HXN2DJDDTXSID702087333-[4-(dimethylamino)phenyl]-6,8-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione3-(4-dimethylaminophenyl)-6,8-dimethyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione3-[4-(Dimethylamino)phenyl]-6,8-dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
Database identifiers
- CAS
60026-38-2- PubChem CID
- 467003
- DTXSID
DTXSID70208733- UNII
- UC8HXN2DJD
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 507
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Compound notes
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