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

C7H8F2N2O — CID 135195986

IUPAC3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one
SMILESCCc1cc(C(F)F)n[nH]c1=O
InChIInChI=1S/C7H8F2N2O/c1-2-4-3-5(6(8)9)10-11-7(4)12/h3,6H,2H2,1H3,(H,11,12)
InChIKeyJCPRPUYWNOQIJT-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.27
Rot. Bonds2

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

3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one (PubChem CID 135195986) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one
PubChem CID135195986
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one
SMILESCCc1cc(C(F)F)n[nH]c1=O
InChIInChI=1S/C7H8F2N2O/c1-2-4-3-5(6(8)9)10-11-7(4)12/h3,6H,2H2,1H3,(H,11,12)
InChIKeyJCPRPUYWNOQIJT-UHFFFAOYSA-N
XLogP1.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.27
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-1H-pyridazin-6-one?
The IUPAC name of 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one (CID 135195986) is 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one is CCc1cc(C(F)F)n[nH]c1=O.
What is the InChIKey of 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one?
The InChIKey is JCPRPUYWNOQIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-2-4-3-5(6(8)9)10-11-7(4)12/h3,6H,2H2,1H3,(H,11,12).
What are the key properties of 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one?
3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one has a molecular weight of 174.15 g/mol, XLogP of 1.27, 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-1H-pyridazin-6-one is sourced from PubChem (CID 135195986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).