3-Phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine
Basic information
- CAS
672950-82-2- Standard SMILES
FC(F)(F)c1nnc(-c2ccccc2)nc1N1CCCC1- InChIKey
BSBCMGXOFPKBNL-UHFFFAOYSA-N- Molecular formula
- C14H13F3N4
- Average molar mass
- 294.27 g/mol
- Monoisotopic mass
- 294.10923092
Names & identifiers
- Preferred name
- 3-Phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine
- IUPAC
- 3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine
Names & synonyms
672950-82-23-phenyl-5-(pyrrolidin-1-yl)-6-(trifluoromethyl)-1,2,4-triazine3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine3-phenyl-5-(1-pyrrolidinyl)-6-(trifluoromethyl)-1,2,4-triazineMLS000706972CHEMBL1895364DTXSID401326687HMS2691B15AKOS005094370SMR0003358005R-1510
Database identifiers
- CAS
672950-82-2- PubChem CID
- 6413293
- DTXSID
DTXSID401326687- ChEMBL
CHEMBL1895364
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
Solubility0.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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