2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one

C12H21N3O3S — CID 103219402

IUPAC2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCCS(=O)(=O)CCCn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C12H21N3O3S/c1-4-19(17,18)7-5-6-15-12(16)8-11(9-13-15)14-10(2)3/h8-10,14H,4-7H2,1-3H3
InChIKeyPHYWJWZFXGDHPK-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.89
Rot. Bonds7

About 2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one

2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219402) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219402
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCCS(=O)(=O)CCCn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C12H21N3O3S/c1-4-19(17,18)7-5-6-15-12(16)8-11(9-13-15)14-10(2)3/h8-10,14H,4-7H2,1-3H3
InChIKeyPHYWJWZFXGDHPK-UHFFFAOYSA-N
XLogP0.89
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one
CID 102888056
5-Amino-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 103218183
5-Amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one
CID 103218262
5-Amino-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 103218308
5-Amino-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 103218404
5-Amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 103218445
5-(Methylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 103218462
5-(Methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 103218515
2-(2-Ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one
CID 103218516
2-(3-Ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one
CID 103218544
5-(Methylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 103218592
5-(Methylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 103218746

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one (CID 103219402) is 2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one is CCS(=O)(=O)CCCn1ncc(NC(C)C)cc1=O.
What is the InChIKey of 2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is PHYWJWZFXGDHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-4-19(17,18)7-5-6-15-12(16)8-11(9-13-15)14-10(2)3/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one?
2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 287.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).