3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C12H11F3N2O — CID 67154935

IUPAC3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc(C2=NNC(=O)CC2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c1-7-2-3-8(6-9(7)12(13,14)15)10-4-5-11(18)17-16-10/h2-3,6H,4-5H2,1H3,(H,17,18)
InChIKeyFXMMXSNDSHECNA-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.63
Rot. Bonds1

About 3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 67154935) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID67154935
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc(C2=NNC(=O)CC2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c1-7-2-3-8(6-9(7)12(13,14)15)10-4-5-11(18)17-16-10/h2-3,6H,4-5H2,1H3,(H,17,18)
InChIKeyFXMMXSNDSHECNA-UHFFFAOYSA-N
XLogP2.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 67154935) is 3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is Cc1ccc(C2=NNC(=O)CC2)cc1C(F)(F)F.
What is the InChIKey of 3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is FXMMXSNDSHECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-7-2-3-8(6-9(7)12(13,14)15)10-4-5-11(18)17-16-10/h2-3,6H,4-5H2,1H3,(H,17,18).
What are the key properties of 3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 256.23 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 67154935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).