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

C13H10FN5OS — CID 51044562

IUPACN-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2nncn2n1)Nc1ccc(F)cc1
InChIInChI=1S/C13H10FN5OS/c14-9-1-3-10(4-2-9)16-12(20)7-21-13-6-5-11-17-15-8-19(11)18-13/h1-6,8H,7H2,(H,16,20)
InChIKeyCCJIAKNYAUVROH-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.99
Rot. Bonds4

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

N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide (PubChem CID 51044562) has the molecular formula C13H10FN5OS and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
PubChem CID51044562
Molecular FormulaC13H10FN5OS
Molecular Weight303.32 g/mol
Exact Mass303.06
IUPAC NameN-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2nncn2n1)Nc1ccc(F)cc1
InChIInChI=1S/C13H10FN5OS/c14-9-1-3-10(4-2-9)16-12(20)7-21-13-6-5-11-17-15-8-19(11)18-13/h1-6,8H,7H2,(H,16,20)
InChIKeyCCJIAKNYAUVROH-UHFFFAOYSA-N
XLogP1.99
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 71828990
N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 71828341
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide
CID 56761742
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 46262434
N-(4-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 2824729
N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073983
4-fluoro-N-[2-[6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 16819641
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(4-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7520017

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide (CID 51044562) is N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide is O=C(CSc1ccc2nncn2n1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide?
The InChIKey is CCJIAKNYAUVROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5OS/c14-9-1-3-10(4-2-9)16-12(20)7-21-13-6-5-11-17-15-8-19(11)18-13/h1-6,8H,7H2,(H,16,20).
What are the key properties of N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide?
N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide has a molecular weight of 303.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide is sourced from PubChem (CID 51044562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).