6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one

C16H17Cl2N3O — CID 13235867

IUPAC6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(Cl)c(Cl)c2)nn1CN1CCCCC1
InChIInChI=1S/C16H17Cl2N3O/c17-13-5-4-12(10-14(13)18)15-6-7-16(22)21(19-15)11-20-8-2-1-3-9-20/h4-7,10H,1-3,8-9,11H2
InChIKeyXOBKKZCZKAGNFL-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.66
Rot. Bonds3

About 6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one

6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one (PubChem CID 13235867) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one
PubChem CID13235867
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(Cl)c(Cl)c2)nn1CN1CCCCC1
InChIInChI=1S/C16H17Cl2N3O/c17-13-5-4-12(10-14(13)18)15-6-7-16(22)21(19-15)11-20-8-2-1-3-9-20/h4-7,10H,1-3,8-9,11H2
InChIKeyXOBKKZCZKAGNFL-UHFFFAOYSA-N
XLogP3.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one (CID 13235867) is 6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one is O=c1ccc(-c2ccc(Cl)c(Cl)c2)nn1CN1CCCCC1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one?
The InChIKey is XOBKKZCZKAGNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c17-13-5-4-12(10-14(13)18)15-6-7-16(22)21(19-15)11-20-8-2-1-3-9-20/h4-7,10H,1-3,8-9,11H2.
What are the key properties of 6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one?
6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one has a molecular weight of 338.24 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 13235867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).