4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one

C9H15N3O2S — CID 114392507

IUPAC4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one
SMILESCC(CCS(C)=O)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C9H15N3O2S/c1-7(3-4-15(2)14)11-8-5-9(13)12-10-6-8/h5-7H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyNKDRQURRTARSEF-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.34
Rot. Bonds5

About 4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one

4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one (PubChem CID 114392507) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one
PubChem CID114392507
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one
SMILESCC(CCS(C)=O)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C9H15N3O2S/c1-7(3-4-15(2)14)11-8-5-9(13)12-10-6-8/h5-7H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyNKDRQURRTARSEF-UHFFFAOYSA-N
XLogP0.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392355
4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one
CID 114391952
4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392438
4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one
CID 114392237
4-(pentan-3-ylamino)-1H-pyridazin-6-one
CID 114391867
4-(3-methylbutylamino)-1H-pyridazin-6-one
CID 114391891
4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one
CID 114392071
4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 114392475
methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate
CID 114392106
4-(4-methylsulfinylbutan-2-ylamino)benzenecarbothioamide
CID 113493528
3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one
CID 115715184
4-(2-methylhydrazinyl)-1H-pyridazin-6-one
CID 142128565

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one (CID 114392507) is 4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one is CC(CCS(C)=O)Nc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one?
The InChIKey is NKDRQURRTARSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7(3-4-15(2)14)11-8-5-9(13)12-10-6-8/h5-7H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one?
4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one has a molecular weight of 229.30 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114392507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).