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

C7H10F2N2O — CID 135195985

IUPAC3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1CC(C(F)F)=NNC1=O
InChIInChI=1S/C7H10F2N2O/c1-2-4-3-5(6(8)9)10-11-7(4)12/h4,6H,2-3H2,1H3,(H,11,12)
InChIKeyKTXLDHWVLXOURN-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.15
Rot. Bonds2

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

3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 135195985) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID135195985
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1CC(C(F)F)=NNC1=O
InChIInChI=1S/C7H10F2N2O/c1-2-4-3-5(6(8)9)10-11-7(4)12/h4,6H,2-3H2,1H3,(H,11,12)
InChIKeyKTXLDHWVLXOURN-UHFFFAOYSA-N
XLogP1.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one (CID 135195985) is 3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one is CCC1CC(C(F)F)=NNC1=O.
What is the InChIKey of 3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is KTXLDHWVLXOURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-2-4-3-5(6(8)9)10-11-7(4)12/h4,6H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one?
3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 176.17 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 135195985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).