2-ethyl-6-ethylsulfonylpyridazin-3-one

C8H12N2O3S — CID 566002

IUPAC2-ethyl-6-ethylsulfonylpyridazin-3-one
SMILESCCn1nc(S(=O)(=O)CC)ccc1=O
InChIInChI=1S/C8H12N2O3S/c1-3-10-8(11)6-5-7(9-10)14(12,13)4-2/h5-6H,3-4H2,1-2H3
InChIKeyKAMIRBGQSFBQFB-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.06
Rot. Bonds3

About 2-ethyl-6-ethylsulfonylpyridazin-3-one

2-ethyl-6-ethylsulfonylpyridazin-3-one (PubChem CID 566002) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-ethyl-6-ethylsulfonylpyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-ethylsulfonylpyridazin-3-one
PubChem CID566002
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name2-ethyl-6-ethylsulfonylpyridazin-3-one
SMILESCCn1nc(S(=O)(=O)CC)ccc1=O
InChIInChI=1S/C8H12N2O3S/c1-3-10-8(11)6-5-7(9-10)14(12,13)4-2/h5-6H,3-4H2,1-2H3
InChIKeyKAMIRBGQSFBQFB-UHFFFAOYSA-N
XLogP0.06
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3(2H)-Pyridazinone, 5-(ethylsulfonyl)-2-methyl-
CID 10943542
4-(ethylsulfonyl)-2-methylpyridazin-3(2H)-one
CID 13896257
4-Ethylsulfinyl-2-methylpyridazin-3-one
CID 13896258
6-chloro-2-(1,1-dioxidotetrahydrothiophen-3-yl)pyridazin-3(2H)-one
CID 49651996
6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one
CID 51970546
6-chloro-2-[(3S)-1,1-dioxothiolan-3-yl]pyridazin-3-one
CID 51970547
5-Iodo-2-(2-propan-2-ylsulfonylethyl)pyridazin-3-one
CID 106728616
5-Iodo-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106728617
2-(2-Tert-butylsulfonylethyl)-5-iodopyridazin-3-one
CID 106728618
6-Amino-2-(2-ethylsulfonylethyl)pyridazin-3-one
CID 106729461
6-Amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one
CID 106729462
6-Amino-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106729463

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-ethylsulfonylpyridazin-3-one?
The IUPAC name of 2-ethyl-6-ethylsulfonylpyridazin-3-one (CID 566002) is 2-ethyl-6-ethylsulfonylpyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-ethylsulfonylpyridazin-3-one?
The canonical SMILES for 2-ethyl-6-ethylsulfonylpyridazin-3-one is CCn1nc(S(=O)(=O)CC)ccc1=O.
What is the InChIKey of 2-ethyl-6-ethylsulfonylpyridazin-3-one?
The InChIKey is KAMIRBGQSFBQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-3-10-8(11)6-5-7(9-10)14(12,13)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-6-ethylsulfonylpyridazin-3-one?
2-ethyl-6-ethylsulfonylpyridazin-3-one has a molecular weight of 216.26 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-ethylsulfonylpyridazin-3-one is sourced from PubChem (CID 566002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).