N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide

C13H9Cl2N5OS — CID 71828990

IUPACN-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2nncn2n1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2N5OS/c14-9-2-1-8(5-10(9)15)17-12(21)6-22-13-4-3-11-18-16-7-20(11)19-13/h1-5,7H,6H2,(H,17,21)
InChIKeyMDUJLIFDKBCIJB-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.16
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide

N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide (PubChem CID 71828990) has the molecular formula C13H9Cl2N5OS and a molecular weight of 354.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
PubChem CID71828990
Molecular FormulaC13H9Cl2N5OS
Molecular Weight354.22 g/mol
Exact Mass352.99
IUPAC NameN-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2nncn2n1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2N5OS/c14-9-2-1-8(5-10(9)15)17-12(21)6-22-13-4-3-11-18-16-7-20(11)19-13/h1-5,7H,6H2,(H,17,21)
InChIKeyMDUJLIFDKBCIJB-UHFFFAOYSA-N
XLogP3.16
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 51044562
N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581665
N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
CID 42139255
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-(3,4-dichlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
CID 17059932
N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936797
N-(3,4-dichlorophenyl)-2-[[3-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 43957544
N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide
CID 56761742
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide (CID 71828990) is N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide is O=C(CSc1ccc2nncn2n1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide?
The InChIKey is MDUJLIFDKBCIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5OS/c14-9-2-1-8(5-10(9)15)17-12(21)6-22-13-4-3-11-18-16-7-20(11)19-13/h1-5,7H,6H2,(H,17,21).
What are the key properties of N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide?
N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide has a molecular weight of 354.22 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide is sourced from PubChem (CID 71828990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).