4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one

C7H9ClN2O3 — CID 54731250

IUPAC4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one
SMILESO=c1c(Cl)c(O)cnn1CCCO
InChIInChI=1S/C7H9ClN2O3/c8-6-5(12)4-9-10(7(6)13)2-1-3-11/h4,11-12H,1-3H2
InChIKeyUOMJWHQLTMEKCI-UHFFFAOYSA-N
MW204.61 g/mol
LogP-0.02
Rot. Bonds3

About 4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one

4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one (PubChem CID 54731250) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one
PubChem CID54731250
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one
SMILESO=c1c(Cl)c(O)cnn1CCCO
InChIInChI=1S/C7H9ClN2O3/c8-6-5(12)4-9-10(7(6)13)2-1-3-11/h4,11-12H,1-3H2
InChIKeyUOMJWHQLTMEKCI-UHFFFAOYSA-N
XLogP-0.02
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-hydroxy-2-(3-hydroxypropyl)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 4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one (CID 54731250) is 4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one is O=c1c(Cl)c(O)cnn1CCCO.
What is the InChIKey of 4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one?
The InChIKey is UOMJWHQLTMEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c8-6-5(12)4-9-10(7(6)13)2-1-3-11/h4,11-12H,1-3H2.
What are the key properties of 4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one?
4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one has a molecular weight of 204.61 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydroxy-2-(3-hydroxypropyl)pyridazin-3-one is sourced from PubChem (CID 54731250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).