methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate

C9H11N3O3S — CID 42138889

IUPACmethyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate
SMILESCOC(=O)CSc1ccc(NC(C)=O)nn1
InChIInChI=1S/C9H11N3O3S/c1-6(13)10-7-3-4-8(12-11-7)16-5-9(14)15-2/h3-4H,5H2,1-2H3,(H,10,11,13)
InChIKeyZOUHRDZTJUMDRC-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.70
Rot. Bonds4

About methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate

methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate (PubChem CID 42138889) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate
PubChem CID42138889
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Namemethyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate
SMILESCOC(=O)CSc1ccc(NC(C)=O)nn1
InChIInChI=1S/C9H11N3O3S/c1-6(13)10-7-3-4-8(12-11-7)16-5-9(14)15-2/h3-4H,5H2,1-2H3,(H,10,11,13)
InChIKeyZOUHRDZTJUMDRC-UHFFFAOYSA-N
XLogP0.70
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate?
The IUPAC name of methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate (CID 42138889) is methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate is COC(=O)CSc1ccc(NC(C)=O)nn1.
What is the InChIKey of methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate?
The InChIKey is ZOUHRDZTJUMDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-6(13)10-7-3-4-8(12-11-7)16-5-9(14)15-2/h3-4H,5H2,1-2H3,(H,10,11,13).
What are the key properties of methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate?
methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate has a molecular weight of 241.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-acetamidopyridazin-3-yl)sulfanylacetate is sourced from PubChem (CID 42138889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).