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

C18H13FN6OS — CID 7190468

IUPACN-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccccc1F
InChIInChI=1S/C18H13FN6OS/c19-12-5-1-2-6-13(12)21-16(26)11-27-17-9-8-15-22-23-18(25(15)24-17)14-7-3-4-10-20-14/h1-10H,11H2,(H,21,26)
InChIKeyWZZICZQUICVHKY-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.06
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 7190468) has the molecular formula C18H13FN6OS and a molecular weight of 380.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
PubChem CID7190468
Molecular FormulaC18H13FN6OS
Molecular Weight380.41 g/mol
Exact Mass380.09
IUPAC NameN-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccccc1F
InChIInChI=1S/C18H13FN6OS/c19-12-5-1-2-6-13(12)21-16(26)11-27-17-9-8-15-22-23-18(25(15)24-17)14-7-3-4-10-20-14/h1-10H,11H2,(H,21,26)
InChIKeyWZZICZQUICVHKY-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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 7190468) is N-(2-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-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The InChIKey is WZZICZQUICVHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6OS/c19-12-5-1-2-6-13(12)21-16(26)11-27-17-9-8-15-22-23-18(25(15)24-17)14-7-3-4-10-20-14/h1-10H,11H2,(H,21,26).
What are the key properties of N-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
N-(2-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-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 7190468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).