3-(4-(Dimethylamino)phenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Basic information
- CAS
52199-06-1- Standard SMILES
CN(C)c1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(C)n2)cc1- InChIKey
QLVGGFLEWLPQCN-UHFFFAOYSA-N- Molecular formula
- C15H16N6O2
- Average molar mass
- 312.33 g/mol
- Monoisotopic mass
- 312.13347377
Names & identifiers
- Preferred name
- 3-(4-(Dimethylamino)phenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
- IUPAC
- 3-[4-(dimethylamino)phenyl]-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Names & synonyms
52199-06-1NSC2803083-(4-(Dimethylamino)phenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dioneNSC 2803083-[4-(Dimethylamino)phenyl]-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dioneOprea1_876246SCHEMBL2183454DTXSID70314045EX-A3708NSC-2803083-[4-(dimethylamino)phenyl]-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Database identifiers
- CAS
52199-06-1- PubChem CID
- 322485
- DTXSID
DTXSID70314045- Nikkaji
- J2.684.610B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 628
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Compound notes
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