N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

C10H15N3O3S — CID 103722598

IUPACN-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(CCS(C)=O)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N3O3S/c1-7(5-6-17(2)16)11-10(15)8-3-4-9(14)13-12-8/h3-4,7H,5-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyVNJGEDKPIJXEFS-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.34
Rot. Bonds5

About N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103722598) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103722598
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(CCS(C)=O)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N3O3S/c1-7(5-6-17(2)16)11-10(15)8-3-4-9(14)13-12-8/h3-4,7H,5-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyVNJGEDKPIJXEFS-UHFFFAOYSA-N
XLogP-0.34
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103722598) is N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is CC(CCS(C)=O)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is VNJGEDKPIJXEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7(5-6-17(2)16)11-10(15)8-3-4-9(14)13-12-8/h3-4,7H,5-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 257.31 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 N-(4-methylsulfinylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103722598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).