Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(4-(dimethylamino)phenyl)-1,6-dimethyl-, 4-oxide
Basic information
- CAS
60026-35-9- Standard SMILES
CN(C)c1ccc(-c2nn(C)c3nc(=O)n(C)c(=O)c-3[n+]2[O-])cc1- InChIKey
ILVOJIZQNHJCFD-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(1H,6H)-dione, 3-(4-(dimethylamino)phenyl)-1,6-dimethyl-, 4-oxide
- IUPAC
- 3-[4-(dimethylamino)phenyl]-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Names & synonyms
60026-35-9NSC280178Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(4-(dimethylamino)phenyl)-1,6-dimethyl-, 4-oxideNSC 280178NSC-280178Pyrimido[5,4-e]-1,2,4-triazine-5,7(1H,6H)-dione, 3-[4-(dimethylamino)phenyl]-1,6-dimethyl-, 4-oxideABU444V2QEDTXSID102087323-[4-(dimethylamino)phenyl]-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione3-(4-dimethylaminophenyl)-1,6-dimethyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione3-[4-(Dimethylamino)phenyl]-1,6-dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Database identifiers
- CAS
60026-35-9- PubChem CID
- 322482
- DTXSID
DTXSID10208732- UNII
- ABU444V2QE
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 673
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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