3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one

C11H11ClN2O2 — CID 13371246

IUPAC3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CC(CO)C(c2ccc(Cl)cc2)=NN1
InChIInChI=1S/C11H11ClN2O2/c12-9-3-1-7(2-4-9)11-8(6-15)5-10(16)13-14-11/h1-4,8,15H,5-6H2,(H,13,16)
InChIKeyLCIQNYXKHPUILL-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.17
Rot. Bonds2

About 3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one

3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 13371246) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID13371246
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CC(CO)C(c2ccc(Cl)cc2)=NN1
InChIInChI=1S/C11H11ClN2O2/c12-9-3-1-7(2-4-9)11-8(6-15)5-10(16)13-14-11/h1-4,8,15H,5-6H2,(H,13,16)
InChIKeyLCIQNYXKHPUILL-UHFFFAOYSA-N
XLogP1.17
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-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 3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one (CID 13371246) is 3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CC(CO)C(c2ccc(Cl)cc2)=NN1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is LCIQNYXKHPUILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-9-3-1-7(2-4-9)11-8(6-15)5-10(16)13-14-11/h1-4,8,15H,5-6H2,(H,13,16).
What are the key properties of 3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 238.67 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 13371246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).