4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one

C10H11ClN4O2 — CID 118740526

IUPAC4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one
SMILESCC(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C10H11ClN4O2/c1-7(16)14-4-5-15(10(17)6-14)9-3-2-8(11)12-13-9/h2-3H,4-6H2,1H3
InChIKeyFZXLWQFIOGREEV-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.33
Rot. Bonds1

About 4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one

4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one (PubChem CID 118740526) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one.

Molecular Properties

Compound Name4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one
PubChem CID118740526
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one
SMILESCC(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C10H11ClN4O2/c1-7(16)14-4-5-15(10(17)6-14)9-3-2-8(11)12-13-9/h2-3H,4-6H2,1H3
InChIKeyFZXLWQFIOGREEV-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-6-(4-methylpiperazin-1-yl)pyridazine
CID 7098865
3-Chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine
CID 6418933
tert-Butyl 4-(6-chloropyridazin-3-yl)piperazine-1-carboxylate
CID 21925370
3-Chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide
CID 10383523
1-[3-(6-Chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 44374348
1-[8-(6-Chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
CID 44374510
1-(6-Chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one
CID 118740525
4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
CID 118740527
4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide
CID 118740528
1-(6-Chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 118740529
1-(6-Chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one
CID 118740530
4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide
CID 134787502

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one?
The IUPAC name of 4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one (CID 118740526) is 4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one.
What is the SMILES notation for 4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one?
The canonical SMILES for 4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one is CC(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1.
What is the InChIKey of 4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one?
The InChIKey is FZXLWQFIOGREEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-7(16)14-4-5-15(10(17)6-14)9-3-2-8(11)12-13-9/h2-3H,4-6H2,1H3.
What are the key properties of 4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one?
4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one has a molecular weight of 254.68 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one is sourced from PubChem (CID 118740526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).