4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide

C11H14ClN5O2 — CID 118740528

IUPAC4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C11H14ClN5O2/c1-15(2)11(19)16-5-6-17(10(18)7-16)9-4-3-8(12)13-14-9/h3-4H,5-7H2,1-2H3
InChIKeyVHNDDEXUZQIGQV-UHFFFAOYSA-N
MW283.72 g/mol
LogP0.46
Rot. Bonds1

About 4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide

4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 118740528) has the molecular formula C11H14ClN5O2 and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID118740528
Molecular FormulaC11H14ClN5O2
Molecular Weight283.72 g/mol
Exact Mass283.08
IUPAC Name4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C11H14ClN5O2/c1-15(2)11(19)16-5-6-17(10(18)7-16)9-4-3-8(12)13-14-9/h3-4H,5-7H2,1-2H3
InChIKeyVHNDDEXUZQIGQV-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 50.46
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
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-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide (CID 118740528) is 4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide is CN(C)C(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is VHNDDEXUZQIGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2/c1-15(2)11(19)16-5-6-17(10(18)7-16)9-4-3-8(12)13-14-9/h3-4H,5-7H2,1-2H3.
What are the key properties of 4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide?
4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 283.72 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 118740528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).