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

C14H13N5O2S — CID 71828341

IUPACN-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1ccc2nncn2n1
InChIInChI=1S/C14H13N5O2S/c1-21-11-5-3-2-4-10(11)16-13(20)8-22-14-7-6-12-17-15-9-19(12)18-14/h2-7,9H,8H2,1H3,(H,16,20)
InChIKeyLEVZEWFSGLGFHZ-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.86
Rot. Bonds5

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

N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide (PubChem CID 71828341) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
PubChem CID71828341
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1ccc2nncn2n1
InChIInChI=1S/C14H13N5O2S/c1-21-11-5-3-2-4-10(11)16-13(20)8-22-14-7-6-12-17-15-9-19(12)18-14/h2-7,9H,8H2,1H3,(H,16,20)
InChIKeyLEVZEWFSGLGFHZ-UHFFFAOYSA-N
XLogP1.86
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581668
N-(2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 43935517
N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 51044562
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383879
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 7847474
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2661368
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 40568633
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 40701025
N-(2-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672535
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 864272

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide (CID 71828341) is N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide is COc1ccccc1NC(=O)CSc1ccc2nncn2n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide?
The InChIKey is LEVZEWFSGLGFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-21-11-5-3-2-4-10(11)16-13(20)8-22-14-7-6-12-17-15-9-19(12)18-14/h2-7,9H,8H2,1H3,(H,16,20).
What are the key properties of N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide?
N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide has a molecular weight of 315.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide is sourced from PubChem (CID 71828341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).