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

C13H16ClN5O3 — CID 118740529

IUPAC1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one
SMILESO=C(N1CCOCC1)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C13H16ClN5O3/c14-10-1-2-11(16-15-10)19-4-3-18(9-12(19)20)13(21)17-5-7-22-8-6-17/h1-2H,3-9H2
InChIKeyAERBEFSOWNBAAL-UHFFFAOYSA-N
MW325.76 g/mol
LogP0.23
Rot. Bonds1

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

1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one (PubChem CID 118740529) has the molecular formula C13H16ClN5O3 and a molecular weight of 325.76 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one
PubChem CID118740529
Molecular FormulaC13H16ClN5O3
Molecular Weight325.76 g/mol
Exact Mass325.09
IUPAC Name1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one
SMILESO=C(N1CCOCC1)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C13H16ClN5O3/c14-10-1-2-11(16-15-10)19-4-3-18(9-12(19)20)13(21)17-5-7-22-8-6-17/h1-2H,3-9H2
InChIKeyAERBEFSOWNBAAL-UHFFFAOYSA-N
XLogP0.23
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-Chloropyridazin-3-yl)morpholine
CID 321079
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-(pyrrolidine-1-carbonyl)piperazin-2-one
CID 118740530
1-(4-(6-Morpholinopyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 7292459
2-Methyl-1-(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 7292461
4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide
CID 134787502
Sdccgsbi-0662499.P001
CID 134792450
1-(6-Chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one
CID 134794651
1-[(4aS,8aR)-4-(6-chloropyridazin-3-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2,2,2-trifluoroethanone
CID 172320331

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one (CID 118740529) is 1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one is O=C(N1CCOCC1)N1CCN(c2ccc(Cl)nn2)C(=O)C1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one?
The InChIKey is AERBEFSOWNBAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O3/c14-10-1-2-11(16-15-10)19-4-3-18(9-12(19)20)13(21)17-5-7-22-8-6-17/h1-2H,3-9H2.
What are the key properties of 1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one?
1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one has a molecular weight of 325.76 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 118740529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).