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

C8H13N3O3S — CID 114392237

IUPAC4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one
SMILESCC(CS(C)(=O)=O)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C8H13N3O3S/c1-6(5-15(2,13)14)10-7-3-8(12)11-9-4-7/h3-4,6H,5H2,1-2H3,(H2,10,11,12)
InChIKeyIACYDWLDLULKOT-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.39
Rot. Bonds4

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

4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one (PubChem CID 114392237) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one
PubChem CID114392237
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one
SMILESCC(CS(C)(=O)=O)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C8H13N3O3S/c1-6(5-15(2,13)14)10-7-3-8(12)11-9-4-7/h3-4,6H,5H2,1-2H3,(H2,10,11,12)
InChIKeyIACYDWLDLULKOT-UHFFFAOYSA-N
XLogP-0.39
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1-methylsulfonylpropan-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-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one
CID 114391952
4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392438
4-(pentan-3-ylamino)-1H-pyridazin-6-one
CID 114391867
4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392355
4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114392507
3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine
CID 104534914
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
4-(3-methylbutylamino)-1H-pyridazin-6-one
CID 114391891
methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate
CID 114392106
4-(2-methylhydrazinyl)-1H-pyridazin-6-one
CID 142128565
6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 64629940

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one (CID 114392237) is 4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one is CC(CS(C)(=O)=O)Nc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one?
The InChIKey is IACYDWLDLULKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-6(5-15(2,13)14)10-7-3-8(12)11-9-4-7/h3-4,6H,5H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one?
4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one has a molecular weight of 231.28 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114392237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).