5-ethylsulfinyl-2,4-dimethylpyridazin-3-one

C8H12N2O2S — CID 14223004

IUPAC5-ethylsulfinyl-2,4-dimethylpyridazin-3-one
SMILESCCS(=O)c1cnn(C)c(=O)c1C
InChIInChI=1S/C8H12N2O2S/c1-4-13(12)7-5-9-10(3)8(11)6(7)2/h5H,4H2,1-3H3
InChIKeyCENAJPBDOBYAHI-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.22
Rot. Bonds2

About 5-ethylsulfinyl-2,4-dimethylpyridazin-3-one

5-ethylsulfinyl-2,4-dimethylpyridazin-3-one (PubChem CID 14223004) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-ethylsulfinyl-2,4-dimethylpyridazin-3-one.

Molecular Properties

Compound Name5-ethylsulfinyl-2,4-dimethylpyridazin-3-one
PubChem CID14223004
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name5-ethylsulfinyl-2,4-dimethylpyridazin-3-one
SMILESCCS(=O)c1cnn(C)c(=O)c1C
InChIInChI=1S/C8H12N2O2S/c1-4-13(12)7-5-9-10(3)8(11)6(7)2/h5H,4H2,1-3H3
InChIKeyCENAJPBDOBYAHI-UHFFFAOYSA-N
XLogP0.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis(ethylthio)-2-methyl-3(2H)-pyridazinone
CID 6456206
2,4-Dimethyl-5-methylsulfanylpyridazin-3-one
CID 148708105
2,4-Dimethyl-5-methylsulfinylpyridazin-3-one
CID 174800707
2,4-Dimethyl-5-methylsulfonylpyridazin-3-one
CID 174808636
2-Methyl-5-methylsulfanyl-4-pent-1-ynylpyridazin-3-one
CID 12009140
4-Ethylsulfinyl-2-methylpyridazin-3-one
CID 13896258
5-Ethylsulfinyl-2-methylpyridazin-3-one
CID 14223003
5-Ethylsulfonyl-2,4-dimethylpyridazin-3-one
CID 14223005

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfinyl-2,4-dimethylpyridazin-3-one?
The IUPAC name of 5-ethylsulfinyl-2,4-dimethylpyridazin-3-one (CID 14223004) is 5-ethylsulfinyl-2,4-dimethylpyridazin-3-one.
What is the SMILES notation for 5-ethylsulfinyl-2,4-dimethylpyridazin-3-one?
The canonical SMILES for 5-ethylsulfinyl-2,4-dimethylpyridazin-3-one is CCS(=O)c1cnn(C)c(=O)c1C.
What is the InChIKey of 5-ethylsulfinyl-2,4-dimethylpyridazin-3-one?
The InChIKey is CENAJPBDOBYAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-4-13(12)7-5-9-10(3)8(11)6(7)2/h5H,4H2,1-3H3.
What are the key properties of 5-ethylsulfinyl-2,4-dimethylpyridazin-3-one?
5-ethylsulfinyl-2,4-dimethylpyridazin-3-one has a molecular weight of 200.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfinyl-2,4-dimethylpyridazin-3-one is sourced from PubChem (CID 14223004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).