6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one

C8H13N3O3S — CID 106729461

IUPAC6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one
SMILESCCS(=O)(=O)CCn1nc(N)ccc1=O
InChIInChI=1S/C8H13N3O3S/c1-2-15(13,14)6-5-11-8(12)4-3-7(9)10-11/h3-4H,2,5-6H2,1H3,(H2,9,10)
InChIKeyFFUFFFMCGYNILJ-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.74
Rot. Bonds4

About 6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one

6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one (PubChem CID 106729461) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one
PubChem CID106729461
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one
SMILESCCS(=O)(=O)CCn1nc(N)ccc1=O
InChIInChI=1S/C8H13N3O3S/c1-2-15(13,14)6-5-11-8(12)4-3-7(9)10-11/h3-4H,2,5-6H2,1H3,(H2,9,10)
InChIKeyFFUFFFMCGYNILJ-UHFFFAOYSA-N
XLogP-0.74
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Ethyl-6-ethylsulfonyl-3(2H)-pyridazinone
CID 566002
2-[2-(2-Methylsulfonylethylamino)ethyl]pyridazin-3-one
CID 62850874
6-Amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one
CID 106729462
6-Amino-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106729463
6-Amino-2-(2-propan-2-ylsulfonylethyl)pyridazin-3-one
CID 106729464
2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
CID 116787343
6-Amino-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 116788177
6-Amino-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 116788220
6-Amino-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 116788221
6-Amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one
CID 116788247
6-Amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 116788362
6-Amino-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 116788372

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one (CID 106729461) is 6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one is CCS(=O)(=O)CCn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one?
The InChIKey is FFUFFFMCGYNILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-2-15(13,14)6-5-11-8(12)4-3-7(9)10-11/h3-4H,2,5-6H2,1H3,(H2,9,10).
What are the key properties of 6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one?
6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one has a molecular weight of 231.28 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-ethylsulfonylethyl)pyridazin-3-one is sourced from PubChem (CID 106729461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).