5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

C12H9F3N2O — CID 162542331

IUPAC5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1cn(-c2cccc(C(F)(F)F)c2)ncc1=O
InChIInChI=1S/C12H9F3N2O/c1-8-7-17(16-6-11(8)18)10-4-2-3-9(5-10)12(13,14)15/h2-7H,1H3
InChIKeyUHFRBQAYDMGYRV-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.56
Rot. Bonds1

About 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 162542331) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID162542331
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1cn(-c2cccc(C(F)(F)F)c2)ncc1=O
InChIInChI=1S/C12H9F3N2O/c1-8-7-17(16-6-11(8)18)10-4-2-3-9(5-10)12(13,14)15/h2-7H,1H3
InChIKeyUHFRBQAYDMGYRV-UHFFFAOYSA-N
XLogP2.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CID 58072379
1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
CID 84803212
1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230336
4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 1479198
3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid
CID 58156960
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230337
1-(3-tert-butylphenyl)-4-fluoropyrazole
CID 146480289
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
CID 95904873
6-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrimidine-2,4-diamine
CID 167877515
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300
(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 10757758
1-(2-hydroxyethyl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
CID 111458949

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (CID 162542331) is 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is Cc1cn(-c2cccc(C(F)(F)F)c2)ncc1=O.
What is the InChIKey of 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is UHFRBQAYDMGYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-8-7-17(16-6-11(8)18)10-4-2-3-9(5-10)12(13,14)15/h2-7H,1H3.
What are the key properties of 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 254.21 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 162542331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).