2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one

C10H13N3O2S — CID 139772205

IUPAC2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CCSCC1
InChIInChI=1S/C10H13N3O2S/c14-9-2-1-3-11-13(9)8-10(15)12-4-6-16-7-5-12/h1-3H,4-8H2
InChIKeyYLLLFYNYWAEFQY-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.18
Rot. Bonds2

About 2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one

2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one (PubChem CID 139772205) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
PubChem CID139772205
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CCSCC1
InChIInChI=1S/C10H13N3O2S/c14-9-2-1-3-11-13(9)8-10(15)12-4-6-16-7-5-12/h1-3H,4-8H2
InChIKeyYLLLFYNYWAEFQY-UHFFFAOYSA-N
XLogP-0.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
The IUPAC name of 2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one (CID 139772205) is 2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one is O=C(Cn1ncccc1=O)N1CCSCC1.
What is the InChIKey of 2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
The InChIKey is YLLLFYNYWAEFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c14-9-2-1-3-11-13(9)8-10(15)12-4-6-16-7-5-12/h1-3H,4-8H2.
What are the key properties of 2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one has a molecular weight of 239.30 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one is sourced from PubChem (CID 139772205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).