4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one

C18H20Cl2N4O2 — CID 133285358

IUPAC4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one
SMILESCCC(=O)N1CCN(c2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)CC1
InChIInChI=1S/C18H20Cl2N4O2/c1-3-16(25)23-8-6-22(7-9-23)15-11-21-24(18(26)17(15)20)13-5-4-12(2)14(19)10-13/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyZBGGPDYGHQVCBU-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.91
Rot. Bonds3

About 4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one

4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one (PubChem CID 133285358) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one
PubChem CID133285358
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one
SMILESCCC(=O)N1CCN(c2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)CC1
InChIInChI=1S/C18H20Cl2N4O2/c1-3-16(25)23-8-6-22(7-9-23)15-11-21-24(18(26)17(15)20)13-5-4-12(2)14(19)10-13/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyZBGGPDYGHQVCBU-UHFFFAOYSA-N
XLogP2.91
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one
CID 47983005
1-[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78899214
4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one
CID 133270310
4-chloro-5-(4-propanoylpiperazin-1-yl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133285388
4-chloro-5-[4-(4-methylpentanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26699737
4-chloro-5-[4-[4-(methylamino)butanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;hydrochloride
CID 119687509
4-chloro-5-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26690054
4-chloro-5-[4-[2-(4-ethylphenoxy)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26682056
3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 60507497
4-chloro-2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 133355006
4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26664762
4-chloro-5-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26664163

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one (CID 133285358) is 4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one is CCC(=O)N1CCN(c2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is ZBGGPDYGHQVCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-3-16(25)23-8-6-22(7-9-23)15-11-21-24(18(26)17(15)20)13-5-4-12(2)14(19)10-13/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of 4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one?
4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 395.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 133285358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).