2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one

C11H15N3O2S — CID 72717842

IUPAC2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one
SMILESCSC1CCN(C(=O)c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C11H15N3O2S/c1-13-10(15)4-3-9(12-13)11(16)14-6-5-8(7-14)17-2/h3-4,8H,5-7H2,1-2H3
InChIKeyQDXVBDQNINKOCW-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.36
Rot. Bonds2

About 2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one

2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one (PubChem CID 72717842) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one
PubChem CID72717842
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one
SMILESCSC1CCN(C(=O)c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C11H15N3O2S/c1-13-10(15)4-3-9(12-13)11(16)14-6-5-8(7-14)17-2/h3-4,8H,5-7H2,1-2H3
InChIKeyQDXVBDQNINKOCW-UHFFFAOYSA-N
XLogP0.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one (CID 72717842) is 2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one is CSC1CCN(C(=O)c2ccc(=O)n(C)n2)C1.
What is the InChIKey of 2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one?
The InChIKey is QDXVBDQNINKOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-13-10(15)4-3-9(12-13)11(16)14-6-5-8(7-14)17-2/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one?
2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one has a molecular weight of 253.33 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylsulfanylpyrrolidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 72717842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).