Basic information
- CAS
121845-91-8- Standard SMILES
Fc1ccc(-c2nnc3ncccc3n2)cc1- InChIKey
DAYMHSYYQPOVJS-UHFFFAOYSA-N- Molecular formula
- C12H7FN4
- Average molar mass
- 226.21 g/mol
- Monoisotopic mass
- 226.0654744
Names & identifiers
- Preferred name
- 3-(4-Fluoro-phenyl)-pyrido(3,2-e)(1,2,4)triazine
- IUPAC
- 3-(4-fluorophenyl)pyrido[3,2-e][1,2,4]triazine
Names & synonyms
121845-91-83-(4-Fluoro-phenyl)-pyrido(3,2-e)(1,2,4)triazine3-(4-fluorophenyl)pyrido[3,2-e][1,2,4]triazine3-(4-Fluoro-phenyl)-pyrido[3,2-e][1,2,4]triazineCHEMBL81737DTXSID10153415
Database identifiers
- CAS
121845-91-8- PubChem CID
- 516637
- DTXSID
DTXSID10153415- ChEMBL
CHEMBL81737
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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