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

C13H16ClN5O2 — CID 118740530

IUPAC1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one
SMILESO=C(N1CCCC1)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C13H16ClN5O2/c14-10-3-4-11(16-15-10)19-8-7-18(9-12(19)20)13(21)17-5-1-2-6-17/h3-4H,1-2,5-9H2
InChIKeyFBHVBQFVYSDPOE-UHFFFAOYSA-N
MW309.76 g/mol
LogP0.99
Rot. Bonds1

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

1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one (PubChem CID 118740530) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one
PubChem CID118740530
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one
SMILESO=C(N1CCCC1)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C13H16ClN5O2/c14-10-3-4-11(16-15-10)19-8-7-18(9-12(19)20)13(21)17-5-1-2-6-17/h3-4H,1-2,5-9H2
InChIKeyFBHVBQFVYSDPOE-UHFFFAOYSA-N
XLogP0.99
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide
CID 134787502
Sdccgsbi-0662569.P001
CID 134788463
CID 134789854
CID 134789854

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one (CID 118740530) is 1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one is O=C(N1CCCC1)N1CCN(c2ccc(Cl)nn2)C(=O)C1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one?
The InChIKey is FBHVBQFVYSDPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c14-10-3-4-11(16-15-10)19-8-7-18(9-12(19)20)13(21)17-5-1-2-6-17/h3-4H,1-2,5-9H2.
What are the key properties of 1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one?
1-(6-chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one has a molecular weight of 309.76 g/mol, XLogP of 0.99, 1 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-(pyrrolidine-1-carbonyl)piperazin-2-one is sourced from PubChem (CID 118740530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).