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

C8H12N2O3S — CID 14223005

IUPAC5-ethylsulfonyl-2,4-dimethylpyridazin-3-one
SMILESCCS(=O)(=O)c1cnn(C)c(=O)c1C
InChIInChI=1S/C8H12N2O3S/c1-4-14(12,13)7-5-9-10(3)8(11)6(7)2/h5H,4H2,1-3H3
InChIKeyYGBZXOOGEVSYED-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.12
Rot. Bonds2

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

5-ethylsulfonyl-2,4-dimethylpyridazin-3-one (PubChem CID 14223005) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 5-ethylsulfonyl-2,4-dimethylpyridazin-3-one.

Molecular Properties

Compound Name5-ethylsulfonyl-2,4-dimethylpyridazin-3-one
PubChem CID14223005
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name5-ethylsulfonyl-2,4-dimethylpyridazin-3-one
SMILESCCS(=O)(=O)c1cnn(C)c(=O)c1C
InChIInChI=1S/C8H12N2O3S/c1-4-14(12,13)7-5-9-10(3)8(11)6(7)2/h5H,4H2,1-3H3
InChIKeyYGBZXOOGEVSYED-UHFFFAOYSA-N
XLogP-0.12
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dimethyl-5-methylsulfanylpyridazin-3-one
CID 148708105
1,5-Dimethyl-6-oxopyridazine-4-sulfonyl chloride
CID 172614638
2,4-Dimethyl-5-methylsulfinylpyridazin-3-one
CID 174800707
2,4-Dimethyl-5-methylsulfonylpyridazin-3-one
CID 174808636
3(2H)-Pyridazinone, 5-(ethylsulfonyl)-2-methyl-
CID 10943542
4-(ethylsulfonyl)-2-methylpyridazin-3(2H)-one
CID 13896257
5-Ethylsulfinyl-2,4-dimethylpyridazin-3-one
CID 14223004

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2,4-dimethylpyridazin-3-one?
The IUPAC name of 5-ethylsulfonyl-2,4-dimethylpyridazin-3-one (CID 14223005) is 5-ethylsulfonyl-2,4-dimethylpyridazin-3-one.
What is the SMILES notation for 5-ethylsulfonyl-2,4-dimethylpyridazin-3-one?
The canonical SMILES for 5-ethylsulfonyl-2,4-dimethylpyridazin-3-one is CCS(=O)(=O)c1cnn(C)c(=O)c1C.
What is the InChIKey of 5-ethylsulfonyl-2,4-dimethylpyridazin-3-one?
The InChIKey is YGBZXOOGEVSYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-4-14(12,13)7-5-9-10(3)8(11)6(7)2/h5H,4H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-2,4-dimethylpyridazin-3-one?
5-ethylsulfonyl-2,4-dimethylpyridazin-3-one has a molecular weight of 216.26 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2,4-dimethylpyridazin-3-one is sourced from PubChem (CID 14223005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).