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

C7H9FN2O — CID 171492865

IUPAC3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one
SMILESCCc1cc(CF)c(=O)[nH]n1
InChIInChI=1S/C7H9FN2O/c1-2-6-3-5(4-8)7(11)10-9-6/h3H,2,4H2,1H3,(H,10,11)
InChIKeyWDIBCHWGLHVFDW-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.80
Rot. Bonds2

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

3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one (PubChem CID 171492865) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one
PubChem CID171492865
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one
SMILESCCc1cc(CF)c(=O)[nH]n1
InChIInChI=1S/C7H9FN2O/c1-2-6-3-5(4-8)7(11)10-9-6/h3H,2,4H2,1H3,(H,10,11)
InChIKeyWDIBCHWGLHVFDW-UHFFFAOYSA-N
XLogP0.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cetohexazine
CID 193965
6-Methyl-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 11435269
5,6-Dimethylpyridazin-3-ol
CID 50987709
4,5,6-Trimethyl-2,3-dihydropyridazin-3-one
CID 54027295
3-Pyridazinecarboxylic acid, 1,6-dihydro-5-methyl-6-oxo-, hydrazide
CID 3021998
6-Isopropyl-3-pyridazinone
CID 23028147
6-Ethyl-3-pyridazinone
CID 23519182
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 123133679
5-ethyl-3-methyl-1H-pyridazin-6-one
CID 54103257
3-tert-butyl-5-ethyl-1H-pyridazin-6-one
CID 68097456
5-Methyl-6-oxo-1,6-dihydropyridazine-3-carbonitrile
CID 137377773
5-fluoro-3-methyl-1H-pyridazin-6-one
CID 22235219

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one (CID 171492865) is 3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one is CCc1cc(CF)c(=O)[nH]n1.
What is the InChIKey of 3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one?
The InChIKey is WDIBCHWGLHVFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-2-6-3-5(4-8)7(11)10-9-6/h3H,2,4H2,1H3,(H,10,11).
What are the key properties of 3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one?
3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one has a molecular weight of 156.16 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 171492865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).