3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine
Basic information
- CAS
121845-59-8- Standard SMILES
FC(F)(F)c1ccc(-c2nnc3ccncc3n2)cc1- InChIKey
KXYKQBMMHPXHPU-UHFFFAOYSA-N- Molecular formula
- C13H7F3N4
- Average molar mass
- 276.22 g/mol
- Monoisotopic mass
- 276.06228073
Names & identifiers
- Preferred name
- 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine
- IUPAC
- 3-[4-(trifluoromethyl)phenyl]pyrido[3,4-e][1,2,4]triazine
- English name
- 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-e][1,2,4]triazine
- Molecular formula
- C13H7F3N4
- Molecular weight
- 276.22
Names & synonyms
121845-59-83-(4-(TRIFLUOROMETHYL)PHENYL)PYRIDO[3,4-E][1,2,4]TRIAZINE3-[4-(trifluoromethyl)phenyl]pyrido[3,4-e][1,2,4]triazine3-(4-Trifluoromethyl-phenyl)-pyrido(3,4-e)(1,2,4)triazine3-(4-Trifluoromethyl-phenyl)-pyrido[3,4-e][1,2,4]triazineCHEMBL81238DTXSID30153396Pyrido[3,4-e]-1,2,4-triazine, 3-[4-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
121845-59-8- PubChem CID
- 516608
- DTXSID
DTXSID30153396- ChEMBL
CHEMBL81238- Nikkaji
- J239.917B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Comptox DTXSID
- 30153396 · DTXSID30153396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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