Basic information
- CAS
6203-07-2- Standard SMILES
Cc1nc2ncnn2c(C)c1Cc1ccc(Cl)cc1F- InChIKey
CGOOLNSDYFPRKI-UHFFFAOYSA-N- Molecular formula
- C14H12ClFN4
- Average molar mass
- 290.72 g/mol
- Monoisotopic mass
- 290.0734523
Names & identifiers
- Preferred name
- 6-[(4-Chloro-2-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 6-[(4-chloro-2-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
Names & synonyms
6203-07-2SMR000096983MLS000120066CHEMBL1299284DTXSID90977570HMS2250B17WAY-3352806-[(4-Chloro-2-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidineSR-01000580529SR-01000580529-1
Database identifiers
- CAS
6203-07-2- PubChem CID
- 5220437
- DTXSID
DTXSID90977570- ChEMBL
CHEMBL1299284
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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