1,6-Dimethyl-3-(4-(trifluoromethoxy)phenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Basic information
- CAS
1448806-43-6- Standard SMILES
Cn1nc(-c2ccc(OC(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2- InChIKey
XXGVNOZZUWANRD-UHFFFAOYSA-N- Molecular formula
- C14H10F3N5O3
- Average molar mass
- 353.26 g/mol
- Monoisotopic mass
- 353.07357368
Names & identifiers
- Preferred name
- 1,6-Dimethyl-3-(4-(trifluoromethoxy)phenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
- IUPAC
- 1,6-dimethyl-3-[4-(trifluoromethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Names & synonyms
CHEMBL24206161448806-43-61,6-Dimethyl-3-(4-(trifluoromethoxy)phenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione1,6-Dimethyl-3-[4-(trifluoromethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dioneDTXSID401352088BDBM50438911
Database identifiers
- CAS
1448806-43-6- PubChem CID
- 71817697
- DTXSID
DTXSID401352088- ChEMBL
CHEMBL2420616
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 692
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Compound notes
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