2-(4-hydroxypentyl)pyridazin-3-one

C9H14N2O2 — CID 62850867

IUPAC2-(4-hydroxypentyl)pyridazin-3-one
SMILESCC(O)CCCn1ncccc1=O
InChIInChI=1S/C9H14N2O2/c1-8(12)4-3-7-11-9(13)5-2-6-10-11/h2,5-6,8,12H,3-4,7H2,1H3
InChIKeyUKHQXTDWJIBWQW-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.40
Rot. Bonds4

About 2-(4-hydroxypentyl)pyridazin-3-one

2-(4-hydroxypentyl)pyridazin-3-one (PubChem CID 62850867) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(4-hydroxypentyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-hydroxypentyl)pyridazin-3-one
PubChem CID62850867
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(4-hydroxypentyl)pyridazin-3-one
SMILESCC(O)CCCn1ncccc1=O
InChIInChI=1S/C9H14N2O2/c1-8(12)4-3-7-11-9(13)5-2-6-10-11/h2,5-6,8,12H,3-4,7H2,1H3
InChIKeyUKHQXTDWJIBWQW-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxypentyl)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 2-(4-hydroxypentyl)pyridazin-3-one?
The IUPAC name of 2-(4-hydroxypentyl)pyridazin-3-one (CID 62850867) is 2-(4-hydroxypentyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-hydroxypentyl)pyridazin-3-one?
The canonical SMILES for 2-(4-hydroxypentyl)pyridazin-3-one is CC(O)CCCn1ncccc1=O.
What is the InChIKey of 2-(4-hydroxypentyl)pyridazin-3-one?
The InChIKey is UKHQXTDWJIBWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-8(12)4-3-7-11-9(13)5-2-6-10-11/h2,5-6,8,12H,3-4,7H2,1H3.
What are the key properties of 2-(4-hydroxypentyl)pyridazin-3-one?
2-(4-hydroxypentyl)pyridazin-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypentyl)pyridazin-3-one is sourced from PubChem (CID 62850867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).