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

C7H8Cl2N2O3 — CID 15160209

IUPAC4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CC(O)CO
InChIInChI=1S/C7H8Cl2N2O3/c8-5-1-10-11(2-4(13)3-12)7(14)6(5)9/h1,4,12-13H,2-3H2
InChIKeyVOACQQASDGGGLL-UHFFFAOYSA-N
MW239.06 g/mol
LogP-0.10
Rot. Bonds3

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

4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one (PubChem CID 15160209) has the molecular formula C7H8Cl2N2O3 and a molecular weight of 239.06 g/mol. Its IUPAC name is 4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one
PubChem CID15160209
Molecular FormulaC7H8Cl2N2O3
Molecular Weight239.06 g/mol
Exact Mass237.99
IUPAC Name4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CC(O)CO
InChIInChI=1S/C7H8Cl2N2O3/c8-5-1-10-11(2-4(13)3-12)7(14)6(5)9/h1,4,12-13H,2-3H2
InChIKeyVOACQQASDGGGLL-UHFFFAOYSA-N
XLogP-0.10
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-dichloro-2-(2,3-dihydroxypropyl)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 4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one (CID 15160209) is 4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CC(O)CO.
What is the InChIKey of 4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one?
The InChIKey is VOACQQASDGGGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O3/c8-5-1-10-11(2-4(13)3-12)7(14)6(5)9/h1,4,12-13H,2-3H2.
What are the key properties of 4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one?
4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one has a molecular weight of 239.06 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one is sourced from PubChem (CID 15160209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).