5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one

C15H10Cl2N2OS — CID 2727457

IUPAC5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2cccs2)cc1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2OS/c16-11-4-3-9(7-12(11)17)6-10-8-13(18-19-15(10)20)14-2-1-5-21-14/h1-5,7-8H,6H2,(H,19,20)
InChIKeyHQWJZINUJMPQHB-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.40
Rot. Bonds3

About 5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one

5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one (PubChem CID 2727457) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one
PubChem CID2727457
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2cccs2)cc1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2OS/c16-11-4-3-9(7-12(11)17)6-10-8-13(18-19-15(10)20)14-2-1-5-21-14/h1-5,7-8H,6H2,(H,19,20)
InChIKeyHQWJZINUJMPQHB-UHFFFAOYSA-N
XLogP4.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one (CID 2727457) is 5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one is O=c1[nH]nc(-c2cccs2)cc1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one?
The InChIKey is HQWJZINUJMPQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-11-4-3-9(7-12(11)17)6-10-8-13(18-19-15(10)20)14-2-1-5-21-14/h1-5,7-8H,6H2,(H,19,20).
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one?
5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one has a molecular weight of 337.23 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 2727457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).