Basic information
- CAS
121845-53-2- Standard SMILES
Fc1ccccc1-c1nnc2ccncc2n1- InChIKey
KPPLCAVGONJTQZ-UHFFFAOYSA-N- Molecular formula
- C12H7FN4
- Average molar mass
- 226.21 g/mol
- Monoisotopic mass
- 226.0654744
Names & identifiers
- Preferred name
- 3-(2-Fluoro-phenyl)-pyrido(3,4-e)(1,2,4)triazine
- IUPAC
- 3-(2-fluorophenyl)pyrido[3,4-e][1,2,4]triazine
Names & synonyms
121845-53-23-(2-fluorophenyl)pyrido[3,4-e][1,2,4]triazine3-(2-Fluoro-phenyl)-pyrido(3,4-e)(1,2,4)triazine3-(2-Fluoro-phenyl)-pyrido[3,4-e][1,2,4]triazineCHEMBL79352DTXSID70153390
Database identifiers
- CAS
121845-53-2- PubChem CID
- 516602
- DTXSID
DTXSID70153390- ChEMBL
CHEMBL79352- Nikkaji
- J239.911C
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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