1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one

C8H9N3OS — CID 168710654

IUPAC1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ccnnc1
InChIInChI=1S/C8H9N3OS/c12-8-3-7(13)5-11(8)6-1-2-9-10-4-6/h1-2,4,7,13H,3,5H2
InChIKeyKDIAMIDRKLBOAZ-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.51
Rot. Bonds1

About 1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one

1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one (PubChem CID 168710654) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
PubChem CID168710654
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ccnnc1
InChIInChI=1S/C8H9N3OS/c12-8-3-7(13)5-11(8)6-1-2-9-10-4-6/h1-2,4,7,13H,3,5H2
InChIKeyKDIAMIDRKLBOAZ-UHFFFAOYSA-N
XLogP0.51
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-pyridazin-4-yl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672252
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
1-(4-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709982
5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168710005
4-sulfanyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 168710403
1-(2,6-dibromo-4-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710389
S-[(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methyl] ethanethioate
CID 168668923
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
1-(4-propan-2-ylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708079
1-(3-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710578

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one (CID 168710654) is 1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1c1ccnnc1.
What is the InChIKey of 1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one?
The InChIKey is KDIAMIDRKLBOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c12-8-3-7(13)5-11(8)6-1-2-9-10-4-6/h1-2,4,7,13H,3,5H2.
What are the key properties of 1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one?
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one has a molecular weight of 195.25 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168710654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).