2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide

C13H13N3OS — CID 3227983

IUPAC2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(-c2ccc(SCC(N)=O)nn2)cc1
InChIInChI=1S/C13H13N3OS/c1-9-2-4-10(5-3-9)11-6-7-13(16-15-11)18-8-12(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyWCNWFBRTOZPDJK-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.03
Rot. Bonds4

About 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide

2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 3227983) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID3227983
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(-c2ccc(SCC(N)=O)nn2)cc1
InChIInChI=1S/C13H13N3OS/c1-9-2-4-10(5-3-9)11-6-7-13(16-15-11)18-8-12(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyWCNWFBRTOZPDJK-UHFFFAOYSA-N
XLogP2.03
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 3227983) is 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide is Cc1ccc(-c2ccc(SCC(N)=O)nn2)cc1.
What is the InChIKey of 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is WCNWFBRTOZPDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9-2-4-10(5-3-9)11-6-7-13(16-15-11)18-8-12(14)17/h2-7H,8H2,1H3,(H2,14,17).
What are the key properties of 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide?
2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 259.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 3227983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).