6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one

C19H15F3N2O — CID 8699136

IUPAC6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
SMILESCc1ccccc1-c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H15F3N2O/c1-13-5-2-3-8-16(13)17-9-10-18(25)24(23-17)12-14-6-4-7-15(11-14)19(20,21)22/h2-11H,12H2,1H3
InChIKeyFIOLKQKFIHWWPL-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.29
Rot. Bonds3

About 6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one

6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one (PubChem CID 8699136) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
PubChem CID8699136
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
SMILESCc1ccccc1-c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H15F3N2O/c1-13-5-2-3-8-16(13)17-9-10-18(25)24(23-17)12-14-6-4-7-15(11-14)19(20,21)22/h2-11H,12H2,1H3
InChIKeyFIOLKQKFIHWWPL-UHFFFAOYSA-N
XLogP4.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one (CID 8699136) is 6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one is Cc1ccccc1-c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?
The InChIKey is FIOLKQKFIHWWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-13-5-2-3-8-16(13)17-9-10-18(25)24(23-17)12-14-6-4-7-15(11-14)19(20,21)22/h2-11H,12H2,1H3.
What are the key properties of 6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?
6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one has a molecular weight of 344.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 8699136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).