Basic information
- CAS
121845-81-6- Standard SMILES
Cc1nc(C)c2nc(-c3ccc(F)cc3)nnc2c1N- InChIKey
JAOCVEUXLCGBQW-UHFFFAOYSA-N- Molecular formula
- C14H12FN5
- Average molar mass
- 269.28 g/mol
- Monoisotopic mass
- 269.10767357
Names & identifiers
- Preferred name
- 3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido(3,4-e)(1,2,4)triazin-8-ylamine
- IUPAC
- 3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazin-8-amine
Names & synonyms
121845-81-63-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido(3,4-e)(1,2,4)triazin-8-ylamine3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido[3,4-e][1,2,4]triazin-8-ylamine3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazin-8-amineCHEMBL79751DTXSID701534113-(4-fluorophenyl)-5,7-dimethyl-pyrido[3,4-e][1,2,4]triazin-8-amine
Database identifiers
- CAS
121845-81-6- PubChem CID
- 516629
- DTXSID
DTXSID70153411- ChEMBL
CHEMBL79751- Nikkaji
- J239.937G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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