5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one

C15H14Cl2N4O2 — CID 138483744

IUPAC5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
SMILESO=C1CN(c2cn[nH]c(=O)c2Cl)CCN1Cc1ccccc1Cl
InChIInChI=1S/C15H14Cl2N4O2/c16-11-4-2-1-3-10(11)8-21-6-5-20(9-13(21)22)12-7-18-19-15(23)14(12)17/h1-4,7H,5-6,8-9H2,(H,19,23)
InChIKeyJKMGXFAXTFJRJW-UHFFFAOYSA-N
MW353.21 g/mol
LogP1.93
Rot. Bonds3

About 5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138483744) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138483744
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC Name5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
SMILESO=C1CN(c2cn[nH]c(=O)c2Cl)CCN1Cc1ccccc1Cl
InChIInChI=1S/C15H14Cl2N4O2/c16-11-4-2-1-3-10(11)8-21-6-5-20(9-13(21)22)12-7-18-19-15(23)14(12)17/h1-4,7H,5-6,8-9H2,(H,19,23)
InChIKeyJKMGXFAXTFJRJW-UHFFFAOYSA-N
XLogP1.93
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-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

4-Chloro-5-(3-oxo-4-(2-(trifluoromethyl)benzyl)piperazin-1-yl)pyridazin-3(2H)-one
CID 138471783
5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
CID 734445
5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138472351
4-Chloro-5-[4-[(2,6-dimethylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138483587
4-Chloro-5-[4-[(2-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138483781
4-chloro-5-[(4-chlorobenzyl)amino]-3(2H)-pyridazinone
CID 734447
2-(4-benzyl-1-piperazinyl)-N'-[(E)-(2-chlorophenyl)methylidene]acetohydrazide
CID 6887128
1-Piperidineacetic acid, alpha-oxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 5333302
4-Chloro-5-[4-[(4-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138483832
2-(2-{4-[(2-Chlorophenyl)methyl]piperazin-1-YL}-2-oxoethyl)-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 75465735
2-[4-(2-chlorobenzyl)-1-piperazinyl]-N'-[(E)-(4-chlorophenyl)methylidene]acetohydrazide
CID 5532266
N'-Benzylidene-2-(4-(2-chlorobenzyl)-1-piperazinyl)acetohydrazide
CID 5536265

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one (CID 138483744) is 5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one is O=C1CN(c2cn[nH]c(=O)c2Cl)CCN1Cc1ccccc1Cl.
What is the InChIKey of 5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is JKMGXFAXTFJRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c16-11-4-2-1-3-10(11)8-21-6-5-20(9-13(21)22)12-7-18-19-15(23)14(12)17/h1-4,7H,5-6,8-9H2,(H,19,23).
What are the key properties of 5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 353.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138483744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).