Basic information
- CAS
121845-83-8- Standard SMILES
CC(=O)Nc1c(C)nc(C)c2nc(-c3ccc(F)cc3)nnc12- InChIKey
UUMOUDRURDEIED-UHFFFAOYSA-N- Molecular formula
- C16H14FN5O
- Average molar mass
- 311.31 g/mol
- Monoisotopic mass
- 311.11823825
Names & identifiers
- Preferred name
- N-(3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido(3,4-e)(1,2,4)triazin-8-yl)-acetamide
- IUPAC
- N-[3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazin-8-yl]acetamide
Names & synonyms
121845-83-8N-(3-(4-Fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazin-8-yl)acetamideN-[3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazin-8-yl]acetamideN-(3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido(3,4-e)(1,2,4)triazin-8-yl)-acetamideN-[3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido[3,4-e][1,2,4]triazin-8-yl]-acetamideCHEMBL84276DTXSID90153413N-[3-(4-fluorophenyl)-5,7-dimethyl-pyrido[3,4-e][1,2,4]triazin-8-yl]acetamide
Database identifiers
- CAS
121845-83-8- PubChem CID
- 516631
- DTXSID
DTXSID90153413- ChEMBL
CHEMBL84276- Nikkaji
- J239.888E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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