Basic information
- CAS
121845-78-1- Standard SMILES
Cc1cc2nnc(-c3ccc(F)cc3)nc2c(C)n1- InChIKey
CCDSSJHYLBLXRY-UHFFFAOYSA-N- Molecular formula
- C14H11FN4
- Average molar mass
- 254.26 g/mol
- Monoisotopic mass
- 254.09677453
Names & identifiers
- Preferred name
- 3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido(3,4-e)(1,2,4)triazine
- IUPAC
- 3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazine
Names & synonyms
121845-78-13-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido(3,4-e)(1,2,4)triazine3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido[3,4-e][1,2,4]triazine3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazineCHEMBL81454DTXSID001534093-(4-fluorophenyl)-5,7-dimethyl-pyrido[3,4-e][1,2,4]triazine
Database identifiers
- CAS
121845-78-1- PubChem CID
- 516627
- DTXSID
DTXSID00153409- ChEMBL
CHEMBL81454- Nikkaji
- J239.934B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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