6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one

C19H26N3O+ — CID 7663375

IUPAC6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(CC[NH+]3CCCCC3)n2)cc1
InChIInChI=1S/C19H25N3O/c1-2-16-6-8-17(9-7-16)18-10-11-19(23)22(20-18)15-14-21-12-4-3-5-13-21/h6-11H,2-5,12-15H2,1H3/p+1
InChIKeyDQMHRSNOIQJLLS-UHFFFAOYSA-O
MW312.44 g/mol
LogP1.54
Rot. Bonds5

About 6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one

6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one (PubChem CID 7663375) has the molecular formula C19H26N3O+ and a molecular weight of 312.44 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one
PubChem CID7663375
Molecular FormulaC19H26N3O+
Molecular Weight312.44 g/mol
Exact Mass312.21
IUPAC Name6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(CC[NH+]3CCCCC3)n2)cc1
InChIInChI=1S/C19H25N3O/c1-2-16-6-8-17(9-7-16)18-10-11-19(23)22(20-18)15-14-21-12-4-3-5-13-21/h6-11H,2-5,12-15H2,1H3/p+1
InChIKeyDQMHRSNOIQJLLS-UHFFFAOYSA-O
XLogP1.54
TPSA39.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-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

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one (CID 7663375) is 6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one is CCc1ccc(-c2ccc(=O)n(CC[NH+]3CCCCC3)n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one?
The InChIKey is DQMHRSNOIQJLLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N3O/c1-2-16-6-8-17(9-7-16)18-10-11-19(23)22(20-18)15-14-21-12-4-3-5-13-21/h6-11H,2-5,12-15H2,1H3/p+1.
What are the key properties of 6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one?
6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one has a molecular weight of 312.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 7663375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).