2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one

C18H16N2O2S — CID 6499091

IUPAC2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one
SMILESCCC(C(=O)c1ccccc1)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H16N2O2S/c1-2-15(18(22)13-7-4-3-5-8-13)20-17(21)11-10-14(19-20)16-9-6-12-23-16/h3-12,15H,2H2,1H3
InChIKeyWQRLGSIVTFSEFD-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.81
Rot. Bonds5

About 2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one

2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one (PubChem CID 6499091) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one
PubChem CID6499091
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one
SMILESCCC(C(=O)c1ccccc1)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H16N2O2S/c1-2-15(18(22)13-7-4-3-5-8-13)20-17(21)11-10-14(19-20)16-9-6-12-23-16/h3-12,15H,2H2,1H3
InChIKeyWQRLGSIVTFSEFD-UHFFFAOYSA-N
XLogP3.81
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one (CID 6499091) is 2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one is CCC(C(=O)c1ccccc1)n1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is WQRLGSIVTFSEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-15(18(22)13-7-4-3-5-8-13)20-17(21)11-10-14(19-20)16-9-6-12-23-16/h3-12,15H,2H2,1H3.
What are the key properties of 2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 324.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1-phenylbutan-2-yl)-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 6499091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).