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

C9H15N3O3S — CID 106737000

IUPAC2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one
SMILESCCS(=O)(=O)CCn1ncc(NC)cc1=O
InChIInChI=1S/C9H15N3O3S/c1-3-16(14,15)5-4-12-9(13)6-8(10-2)7-11-12/h6-7,10H,3-5H2,1-2H3
InChIKeyFJEJBGYRTMJPEZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.28
Rot. Bonds5

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

2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one (PubChem CID 106737000) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one
PubChem CID106737000
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one
SMILESCCS(=O)(=O)CCn1ncc(NC)cc1=O
InChIInChI=1S/C9H15N3O3S/c1-3-16(14,15)5-4-12-9(13)6-8(10-2)7-11-12/h6-7,10H,3-5H2,1-2H3
InChIKeyFJEJBGYRTMJPEZ-UHFFFAOYSA-N
XLogP-0.28
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-Methylsulfonylethylamino)ethyl]pyridazin-3-one
CID 62850874
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-(2-methylsulfanylethyl)pyridazin-3-one
CID 103218236
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one (CID 106737000) is 2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one is CCS(=O)(=O)CCn1ncc(NC)cc1=O.
What is the InChIKey of 2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is FJEJBGYRTMJPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-3-16(14,15)5-4-12-9(13)6-8(10-2)7-11-12/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one?
2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 245.30 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 106737000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).