2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one

C14H21N5O2S — CID 72909189

IUPAC2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCNCC2)cc1=O)N1CCSCC1
InChIInChI=1S/C14H21N5O2S/c20-13-9-12(17-3-1-15-2-4-17)10-16-19(13)11-14(21)18-5-7-22-8-6-18/h9-10,15H,1-8,11H2
InChIKeyTZSSZKMVKBCUAH-UHFFFAOYSA-N
MW323.42 g/mol
LogP-0.77
Rot. Bonds3

About 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one

2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one (PubChem CID 72909189) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one
PubChem CID72909189
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCNCC2)cc1=O)N1CCSCC1
InChIInChI=1S/C14H21N5O2S/c20-13-9-12(17-3-1-15-2-4-17)10-16-19(13)11-14(21)18-5-7-22-8-6-18/h9-10,15H,1-8,11H2
InChIKeyTZSSZKMVKBCUAH-UHFFFAOYSA-N
XLogP-0.77
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one (CID 72909189) is 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one is O=C(Cn1ncc(N2CCNCC2)cc1=O)N1CCSCC1.
What is the InChIKey of 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one?
The InChIKey is TZSSZKMVKBCUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c20-13-9-12(17-3-1-15-2-4-17)10-16-19(13)11-14(21)18-5-7-22-8-6-18/h9-10,15H,1-8,11H2.
What are the key properties of 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one?
2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one has a molecular weight of 323.42 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 72909189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).