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

C14H15N3OS — CID 7672604

IUPAC2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(-c2ccc(SCC(N)=O)nn2)cc1C
InChIInChI=1S/C14H15N3OS/c1-9-3-4-11(7-10(9)2)12-5-6-14(17-16-12)19-8-13(15)18/h3-7H,8H2,1-2H3,(H2,15,18)
InChIKeyXTKJGTGTAOFAKQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.34
Rot. Bonds4

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

2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7672604) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7672604
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(-c2ccc(SCC(N)=O)nn2)cc1C
InChIInChI=1S/C14H15N3OS/c1-9-3-4-11(7-10(9)2)12-5-6-14(17-16-12)19-8-13(15)18/h3-7H,8H2,1-2H3,(H2,15,18)
InChIKeyXTKJGTGTAOFAKQ-UHFFFAOYSA-N
XLogP2.34
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7672604) is 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide is Cc1ccc(-c2ccc(SCC(N)=O)nn2)cc1C.
What is the InChIKey of 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is XTKJGTGTAOFAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-3-4-11(7-10(9)2)12-5-6-14(17-16-12)19-8-13(15)18/h3-7H,8H2,1-2H3,(H2,15,18).
What are the key properties of 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 273.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7672604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).