4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one

C13H13Cl2N3O2 — CID 133381459

IUPAC4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
SMILESCN(CCO)c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl
InChIInChI=1S/C13H13Cl2N3O2/c1-17(6-7-19)11-8-16-18(13(20)12(11)15)10-4-2-9(14)3-5-10/h2-5,8,19H,6-7H2,1H3
InChIKeySNOFUKUBSVUMRU-UHFFFAOYSA-N
MW314.17 g/mol
LogP1.97
Rot. Bonds4

About 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one

4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 133381459) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
PubChem CID133381459
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
SMILESCN(CCO)c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl
InChIInChI=1S/C13H13Cl2N3O2/c1-17(6-7-19)11-8-16-18(13(20)12(11)15)10-4-2-9(14)3-5-10/h2-5,8,19H,6-7H2,1H3
InChIKeySNOFUKUBSVUMRU-UHFFFAOYSA-N
XLogP1.97
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]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-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one (CID 133381459) is 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one is CN(CCO)c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is SNOFUKUBSVUMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-17(6-7-19)11-8-16-18(13(20)12(11)15)10-4-2-9(14)3-5-10/h2-5,8,19H,6-7H2,1H3.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one?
4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 314.17 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 133381459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).