2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one

C15H10Cl2N2OS — CID 7659601

IUPAC2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccs2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2OS/c16-11-4-3-10(8-12(11)17)9-19-15(20)6-5-13(18-19)14-2-1-7-21-14/h1-8H,9H2
InChIKeySWUAVNFZMCWAJZ-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.33
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one

2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 7659601) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID7659601
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccs2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2OS/c16-11-4-3-10(8-12(11)17)9-19-15(20)6-5-13(18-19)14-2-1-7-21-14/h1-8H,9H2
InChIKeySWUAVNFZMCWAJZ-UHFFFAOYSA-N
XLogP4.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-nitrophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one
CID 7659585
2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one
CID 8698921
6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one
CID 52901333
3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905781
2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one
CID 51044961
2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
CID 41376665
2-phenacyl-6-thiophen-2-ylpyridazin-3-one
CID 43818842
2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one
CID 7659593
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
2-[(4-fluorophenyl)methyl]-4-[(4-fluorophenyl)methylamino]-6-thiophen-2-ylpyridazin-3-one
CID 46951122
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905803

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one (CID 7659601) is 2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one is O=c1ccc(-c2cccs2)nn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is SWUAVNFZMCWAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-11-4-3-10(8-12(11)17)9-19-15(20)6-5-13(18-19)14-2-1-7-21-14/h1-8H,9H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one?
2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 337.23 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 7659601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).