2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one

C10H17N3O3S — CID 103218544

IUPAC2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one
SMILESCCS(=O)(=O)CCCn1ncc(NC)cc1=O
InChIInChI=1S/C10H17N3O3S/c1-3-17(15,16)6-4-5-13-10(14)7-9(11-2)8-12-13/h7-8,11H,3-6H2,1-2H3
InChIKeyHFAIWIAWWXDNKH-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.11
Rot. Bonds6

About 2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one

2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one (PubChem CID 103218544) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one
PubChem CID103218544
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one
SMILESCCS(=O)(=O)CCCn1ncc(NC)cc1=O
InChIInChI=1S/C10H17N3O3S/c1-3-17(15,16)6-4-5-13-10(14)7-9(11-2)8-12-13/h7-8,11H,3-6H2,1-2H3
InChIKeyHFAIWIAWWXDNKH-UHFFFAOYSA-N
XLogP0.11
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 103218183
5-Amino-2-(2-ethylsulfanylethyl)pyridazin-3-one
CID 103218237
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
5-(Methylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 103218592
5-(Methylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 103218746
2-(3-Ethylsulfanylpropyl)-5-(methylamino)pyridazin-3-one
CID 103218815

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one (CID 103218544) is 2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one is CCS(=O)(=O)CCCn1ncc(NC)cc1=O.
What is the InChIKey of 2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is HFAIWIAWWXDNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-3-17(15,16)6-4-5-13-10(14)7-9(11-2)8-12-13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one?
2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 259.33 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).