3,4-dimethyl-2-(3-(trifluoromethyl)phenyl)-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
Basic information
- CAS
791824-96-9- Standard SMILES
Cc1n[nH]c(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)c12- InChIKey
CNVCNJHKPPSWTR-UHFFFAOYSA-N- Molecular formula
- C14H11F3N4O
- Average molar mass
- 308.26 g/mol
Names & identifiers
- Preferred name
- 3,4-dimethyl-2-(3-(trifluoromethyl)phenyl)-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
- IUPAC
- 3,4-dimethyl-2-[3-(trifluoromethyl)phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one
- English name
- 3,4-dimethyl-2-[3-(trifluoromethyl)phenyl]-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
- Molecular formula
- C14H11F3N4O
- Molecular weight
- 308.26
Names & synonyms
3,4-dimethyl-2-(3-(trifluoromethyl)phenyl)-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one791824-96-9F3375-3071SMSSF-0536911STK650510AKOS005581334AKOS0163393753,4-dimethyl-2-[3-(trifluoromethyl)phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-oneVU0613368-13,4-dimethyl-2-(3-trifluoromethylphenyl)-2,6-di-hydro-7h-pyrazolo[3,4-d]pyridazin-7-one3,4-dimethyl-2-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyridazin-7-ol3,4-dimethyl-2-[m-(trifluoromethyl)phenyl]-1,2,5,6-tetraaza-2,6-dihydro-7H-inden-7-one
Show more names
3,4-dimethyl-2-[3-(trifluoromethyl)phenyl]-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one7H-Pyrazolo[3,4-d]pyridazin-7-one, 2,6-dihydro-3,4-dimethyl-2-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
791824-96-9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 493
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Compound notes
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