5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one

C14H13N3O2S — CID 168709213

IUPAC5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one
SMILESO=C1CC(S)CN1c1cnn(-c2ccccc2)c(=O)c1
InChIInChI=1S/C14H13N3O2S/c18-13-7-12(20)9-16(13)11-6-14(19)17(15-8-11)10-4-2-1-3-5-10/h1-6,8,12,20H,7,9H2
InChIKeyQPNDEQRZOBPZNL-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.27
Rot. Bonds2

About 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one

5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one (PubChem CID 168709213) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one
PubChem CID168709213
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one
SMILESO=C1CC(S)CN1c1cnn(-c2ccccc2)c(=O)c1
InChIInChI=1S/C14H13N3O2S/c18-13-7-12(20)9-16(13)11-6-14(19)17(15-8-11)10-4-2-1-3-5-10/h1-6,8,12,20H,7,9H2
InChIKeyQPNDEQRZOBPZNL-UHFFFAOYSA-N
XLogP1.27
TPSA55.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one
CID 168700057
methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate
CID 168694036
S-[5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidin-3-yl] ethanethioate
CID 168705887
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962
1-(3-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710578
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
5-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168710407
1-(2,6-dibromo-4-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710389
1-(4-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709982
1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168709041
1-(4-methylphenyl)-5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrazole-4-carbonitrile
CID 168708856
1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one
CID 168709956

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one?
The IUPAC name of 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one (CID 168709213) is 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one?
The canonical SMILES for 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one is O=C1CC(S)CN1c1cnn(-c2ccccc2)c(=O)c1.
What is the InChIKey of 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one?
The InChIKey is QPNDEQRZOBPZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-13-7-12(20)9-16(13)11-6-14(19)17(15-8-11)10-4-2-1-3-5-10/h1-6,8,12,20H,7,9H2.
What are the key properties of 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one?
5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one has a molecular weight of 287.34 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one is sourced from PubChem (CID 168709213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).