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

C18H13FN6OS — CID 7190470

IUPACN-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1cccc(F)c1
InChIInChI=1S/C18H13FN6OS/c19-12-4-3-5-13(10-12)21-16(26)11-27-17-8-7-15-22-23-18(25(15)24-17)14-6-1-2-9-20-14/h1-10H,11H2,(H,21,26)
InChIKeyBTKSWBVCLZOZRG-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.06
Rot. Bonds5

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

N-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 7190470) has the molecular formula C18H13FN6OS and a molecular weight of 380.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
PubChem CID7190470
Molecular FormulaC18H13FN6OS
Molecular Weight380.41 g/mol
Exact Mass380.09
IUPAC NameN-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1cccc(F)c1
InChIInChI=1S/C18H13FN6OS/c19-12-4-3-5-13(10-12)21-16(26)11-27-17-8-7-15-22-23-18(25(15)24-17)14-6-1-2-9-20-14/h1-10H,11H2,(H,21,26)
InChIKeyBTKSWBVCLZOZRG-UHFFFAOYSA-N
XLogP3.06
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-fluorophenyl)acetamide
CID 1994361
2-((3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 5310564
N-tert-butyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 859496
6-((3-Fluorobenzyl)thio)-3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190718
N-[3-[6-(2-thienyl)imidazo [1,2-b]pyridazin-3-yl]phenyl] acetamide
CID 126673008
2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide
CID 3851861
N-Phenyl-2-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-acetamide
CID 650239
2-[6-(2-Fluoro-phenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-acetamide
CID 654499
2-((4-amino-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
CID 662316
4-[2-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 2463201
2-(6-Methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-acetamide
CID 3228928

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 7190470) is N-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The InChIKey is BTKSWBVCLZOZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6OS/c19-12-4-3-5-13(10-12)21-16(26)11-27-17-8-7-15-22-23-18(25(15)24-17)14-6-1-2-9-20-14/h1-10H,11H2,(H,21,26).
What are the key properties of N-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
N-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 380.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 7190470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).