4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one

C11H17N3O2S — CID 12550756

IUPAC4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one
SMILESCCOc1c(N2CCSCC2)cnn(C)c1=O
InChIInChI=1S/C11H17N3O2S/c1-3-16-10-9(8-12-13(2)11(10)15)14-4-6-17-7-5-14/h8H,3-7H2,1-2H3
InChIKeyQRBQXEVYTLEHEE-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.73
Rot. Bonds3

About 4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one

4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one (PubChem CID 12550756) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one
PubChem CID12550756
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one
SMILESCCOc1c(N2CCSCC2)cnn(C)c1=O
InChIInChI=1S/C11H17N3O2S/c1-3-16-10-9(8-12-13(2)11(10)15)14-4-6-17-7-5-14/h8H,3-7H2,1-2H3
InChIKeyQRBQXEVYTLEHEE-UHFFFAOYSA-N
XLogP0.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one?
The IUPAC name of 4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one (CID 12550756) is 4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one?
The canonical SMILES for 4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one is CCOc1c(N2CCSCC2)cnn(C)c1=O.
What is the InChIKey of 4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one?
The InChIKey is QRBQXEVYTLEHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-16-10-9(8-12-13(2)11(10)15)14-4-6-17-7-5-14/h8H,3-7H2,1-2H3.
What are the key properties of 4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one?
4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one has a molecular weight of 255.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-5-thiomorpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 12550756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).