2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one

C17H14N2OS — CID 51044961

IUPAC2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccs2)nn1C/C=C/c1ccccc1
InChIInChI=1S/C17H14N2OS/c20-17-11-10-15(16-9-5-13-21-16)18-19(17)12-4-8-14-6-2-1-3-7-14/h1-11,13H,12H2/b8-4+
InChIKeyVWXXOQBYGJHSNB-XBXARRHUSA-N
MW294.38 g/mol
LogP3.69
Rot. Bonds4

About 2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one

2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 51044961) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID51044961
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccs2)nn1C/C=C/c1ccccc1
InChIInChI=1S/C17H14N2OS/c20-17-11-10-15(16-9-5-13-21-16)18-19(17)12-4-8-14-6-2-1-3-7-14/h1-11,13H,12H2/b8-4+
InChIKeyVWXXOQBYGJHSNB-XBXARRHUSA-N
XLogP3.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(E)-3-phenylprop-2-enyl]-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

Related Compounds

2-[2-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076833
2-phenacyl-6-thiophen-2-ylpyridazin-3-one
CID 43818842
2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one
CID 7659601
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one
CID 7659593
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7443510
2-[(4-nitrophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one
CID 7659585
2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid
CID 51053856
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one
CID 52901333
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 121049992
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide
CID 16905752

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one (CID 51044961) is 2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one is O=c1ccc(-c2cccs2)nn1C/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is VWXXOQBYGJHSNB-XBXARRHUSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17-11-10-15(16-9-5-13-21-16)18-19(17)12-4-8-14-6-2-1-3-7-14/h1-11,13H,12H2/b8-4+.
What are the key properties of 2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one?
2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 294.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 51044961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).