5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one

C7H9F3N2O — CID 135195982

IUPAC5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1CC(C(F)(F)F)=NNC1=O
InChIInChI=1S/C7H9F3N2O/c1-2-4-3-5(7(8,9)10)11-12-6(4)13/h4H,2-3H2,1H3,(H,12,13)
InChIKeyRSGIFYPZDWSHFL-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.45
Rot. Bonds1

About 5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one

5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 135195982) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID135195982
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1CC(C(F)(F)F)=NNC1=O
InChIInChI=1S/C7H9F3N2O/c1-2-4-3-5(7(8,9)10)11-12-6(4)13/h4H,2-3H2,1H3,(H,12,13)
InChIKeyRSGIFYPZDWSHFL-UHFFFAOYSA-N
XLogP1.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one (CID 135195982) is 5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one is CCC1CC(C(F)(F)F)=NNC1=O.
What is the InChIKey of 5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is RSGIFYPZDWSHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-2-4-3-5(7(8,9)10)11-12-6(4)13/h4H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one?
5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 194.16 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 135195982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).