6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one

C19H25N3O — CID 7666040

IUPAC6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CCN3CCCCC3)n2)c(C)c1
InChIInChI=1S/C19H25N3O/c1-15-6-7-17(16(2)14-15)18-8-9-19(23)22(20-18)13-12-21-10-4-3-5-11-21/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyFEBQJZNKGPZYKX-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.01
Rot. Bonds4

About 6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one

6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one (PubChem CID 7666040) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one
PubChem CID7666040
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CCN3CCCCC3)n2)c(C)c1
InChIInChI=1S/C19H25N3O/c1-15-6-7-17(16(2)14-15)18-8-9-19(23)22(20-18)13-12-21-10-4-3-5-11-21/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyFEBQJZNKGPZYKX-UHFFFAOYSA-N
XLogP3.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one (CID 7666040) is 6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CCN3CCCCC3)n2)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The InChIKey is FEBQJZNKGPZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-6-7-17(16(2)14-15)18-8-9-19(23)22(20-18)13-12-21-10-4-3-5-11-21/h6-9,14H,3-5,10-13H2,1-2H3.
What are the key properties of 6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one has a molecular weight of 311.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 7666040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).