Basic information
- CAS
79441-93-3- Standard SMILES
COc1ccc(-c2cnnc3c(-c4cccc(C(F)(F)F)c4)cnn23)cc1- InChIKey
SBJCTTSCLDWRDY-UHFFFAOYSA-N- Molecular formula
- C19H13F3N4O
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 370.10414554
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine
- IUPAC
- 4-(4-methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine
Names & synonyms
79441-93-3NSC3551714-(4-methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazineDTXSID10320120NSC-355171
Database identifiers
- CAS
79441-93-3- PubChem CID
- 337394
- DTXSID
DTXSID10320120
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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