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

C12H17ClN4O — CID 134794651

IUPAC1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C12H17ClN4O/c1-9(2)7-16-5-6-17(12(18)8-16)11-4-3-10(13)14-15-11/h3-4,9H,5-8H2,1-2H3
InChIKeyQFTUZIYTGMWACK-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.43
Rot. Bonds3

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

1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one (PubChem CID 134794651) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one
PubChem CID134794651
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C12H17ClN4O/c1-9(2)7-16-5-6-17(12(18)8-16)11-4-3-10(13)14-15-11/h3-4,9H,5-8H2,1-2H3
InChIKeyQFTUZIYTGMWACK-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.43
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-Acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one
CID 118740526
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

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one (CID 134794651) is 1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(c2ccc(Cl)nn2)C(=O)C1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one?
The InChIKey is QFTUZIYTGMWACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-9(2)7-16-5-6-17(12(18)8-16)11-4-3-10(13)14-15-11/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one?
1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one has a molecular weight of 268.75 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 134794651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).