5-ethylsulfonyl-2-methylpyridazin-3-one

C7H10N2O3S — CID 10943542

IUPAC5-ethylsulfonyl-2-methylpyridazin-3-one
SMILESCCS(=O)(=O)c1cnn(C)c(=O)c1
InChIInChI=1S/C7H10N2O3S/c1-3-13(11,12)6-4-7(10)9(2)8-5-6/h4-5H,3H2,1-2H3
InChIKeyVYWDBOCQSMXKAY-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.43
Rot. Bonds2

About 5-ethylsulfonyl-2-methylpyridazin-3-one

5-ethylsulfonyl-2-methylpyridazin-3-one (PubChem CID 10943542) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-ethylsulfonyl-2-methylpyridazin-3-one
PubChem CID10943542
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name5-ethylsulfonyl-2-methylpyridazin-3-one
SMILESCCS(=O)(=O)c1cnn(C)c(=O)c1
InChIInChI=1S/C7H10N2O3S/c1-3-13(11,12)6-4-7(10)9(2)8-5-6/h4-5H,3H2,1-2H3
InChIKeyVYWDBOCQSMXKAY-UHFFFAOYSA-N
XLogP-0.43
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-methylpyridazin-3-one?
The IUPAC name of 5-ethylsulfonyl-2-methylpyridazin-3-one (CID 10943542) is 5-ethylsulfonyl-2-methylpyridazin-3-one.
What is the SMILES notation for 5-ethylsulfonyl-2-methylpyridazin-3-one?
The canonical SMILES for 5-ethylsulfonyl-2-methylpyridazin-3-one is CCS(=O)(=O)c1cnn(C)c(=O)c1.
What is the InChIKey of 5-ethylsulfonyl-2-methylpyridazin-3-one?
The InChIKey is VYWDBOCQSMXKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-3-13(11,12)6-4-7(10)9(2)8-5-6/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-2-methylpyridazin-3-one?
5-ethylsulfonyl-2-methylpyridazin-3-one has a molecular weight of 202.24 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-methylpyridazin-3-one is sourced from PubChem (CID 10943542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).