4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one

C5H4Cl2N2O2 — CID 596442

IUPAC4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CO
InChIInChI=1S/C5H4Cl2N2O2/c6-3-1-8-9(2-10)5(11)4(3)7/h1,10H,2H2
InChIKeyIUNZCCKUTRMPSF-UHFFFAOYSA-N
MW195.00 g/mol
LogP0.50
Rot. Bonds1

About 4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one

4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one (PubChem CID 596442) has the molecular formula C5H4Cl2N2O2 and a molecular weight of 195.00 g/mol. Its IUPAC name is 4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one
PubChem CID596442
Molecular FormulaC5H4Cl2N2O2
Molecular Weight195.00 g/mol
Exact Mass193.96
IUPAC Name4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CO
InChIInChI=1S/C5H4Cl2N2O2/c6-3-1-8-9(2-10)5(11)4(3)7/h1,10H,2H2
InChIKeyIUNZCCKUTRMPSF-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.00
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dichloro-2-(hydroxymethyl)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

Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
CID 120462
4-Chloro-5-hydroxy-2-methylpyridazin-3(2H)-one
CID 54695798
4,5-dichloro-2-ethyl-3(2H)-pyridazinone
CID 676426
4,5-dichloro-2-(ethoxymethyl)-3(2H)-pyridazinone
CID 13270700
2-Chloromethyl-4,5-dichloropyridazin-3(2H)-one
CID 4466062
4,5-dichloro-2-methoxymethyl-2H-pyridazin-3-one
CID 12351834
4,5-Dichloro-2-(2-hydroxyethyl)pyridazin-3(2H)-one
CID 12473886
4,5-Dichloro-2,2-dimethylpyridazin-2-ium-3-one
CID 19817593
4,5-dichloro-2-(3'-hydroxypropyl)-3(2H)-pyridazinone
CID 23039514
4,5-Dichloro-2-(1-hydroxyethyl)pyridazin-3-one
CID 67870346
4,5-Dichloro-2-methylpyridazin-3-one;hydrochloride
CID 121472658
4-Chloro-2-methyl-5-methylchloranuidylpyridazin-3-one
CID 149038947

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one (CID 596442) is 4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CO.
What is the InChIKey of 4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one?
The InChIKey is IUNZCCKUTRMPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O2/c6-3-1-8-9(2-10)5(11)4(3)7/h1,10H,2H2.
What are the key properties of 4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one?
4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one has a molecular weight of 195.00 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(hydroxymethyl)pyridazin-3-one is sourced from PubChem (CID 596442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).