Basic information
- CAS
121845-55-4- Standard SMILES
Fc1ccc(-c2nnc3ccncc3n2)cc1- InChIKey
MTOKXMIUBZRWQT-UHFFFAOYSA-N- Molecular formula
- C12H7FN4
- Average molar mass
- 226.21 g/mol
- Monoisotopic mass
- 226.0654744
Names & identifiers
- Preferred name
- 3-(4-Fluorophenyl)pyrido[3,4-e][1,2,4]triazine
- IUPAC
- 3-(4-fluorophenyl)pyrido[3,4-e][1,2,4]triazine
- English name
- 3-(4-Fluorophenyl)pyrido[3,4-e][1,2,4]triazine
- Molecular formula
- C12H7FN4
- Molecular weight
- 226.21
Names & synonyms
121845-55-43-(4-fluorophenyl)pyrido[3,4-e][1,2,4]triazine3-(4-Fluoro-phenyl)-pyrido(3,4-e)(1,2,4)triazine3-(4-Fluoro-phenyl)-pyrido[3,4-e][1,2,4]triazineCHEMBL82582DTXSID90153392Pyrido[3,4-e]-1,2,4-triazine, 3-(4-fluorophenyl)-
Database identifiers
- CAS
121845-55-4- PubChem CID
- 516604
- DTXSID
DTXSID90153392- ChEMBL
CHEMBL82582- Nikkaji
- J239.913J
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
- 255
Physicochemical properties
- Boiling point
- 426.2 · 426.2±51.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- pka
- 2.35 · 2.35±0.30(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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