6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one

C10H17N3O3S — CID 62927058

IUPAC6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCNCCS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O3S/c1-9-3-4-10(14)13(12-9)7-5-11-6-8-17(2,15)16/h3-4,11H,5-8H2,1-2H3
InChIKeyQTJRYNBJCCKCRQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.81
Rot. Bonds6

About 6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one

6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one (PubChem CID 62927058) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one
PubChem CID62927058
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCNCCS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O3S/c1-9-3-4-10(14)13(12-9)7-5-11-6-8-17(2,15)16/h3-4,11H,5-8H2,1-2H3
InChIKeyQTJRYNBJCCKCRQ-UHFFFAOYSA-N
XLogP-0.81
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 ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one (CID 62927058) is 6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one is Cc1ccc(=O)n(CCNCCS(C)(=O)=O)n1.
What is the InChIKey of 6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one?
The InChIKey is QTJRYNBJCCKCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-9-3-4-10(14)13(12-9)7-5-11-6-8-17(2,15)16/h3-4,11H,5-8H2,1-2H3.
What are the key properties of 6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one?
6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one has a molecular weight of 259.33 g/mol, XLogP of -0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62927058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).