3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

C12H9F3N2O — CID 10682335

IUPAC3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O/c1-7-10(6-11(18)17-16-7)8-3-2-4-9(5-8)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKeyJNGMESWVLDAZKL-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.76
Rot. Bonds1

About 3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one (PubChem CID 10682335) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
PubChem CID10682335
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O/c1-7-10(6-11(18)17-16-7)8-3-2-4-9(5-8)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKeyJNGMESWVLDAZKL-UHFFFAOYSA-N
XLogP2.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one
CID 54766055
7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 67154905
5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 117127130
2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline
CID 67134010
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840
5-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one;hydrochloride
CID 141001712
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899
6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091897
3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091798
3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one
CID 10489682

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one (CID 10682335) is 3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one is Cc1n[nH]c(=O)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
The InChIKey is JNGMESWVLDAZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-7-10(6-11(18)17-16-7)8-3-2-4-9(5-8)12(13,14)15/h2-6H,1H3,(H,17,18).
What are the key properties of 3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one has a molecular weight of 254.21 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 10682335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).