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

C16H15F2N5OS — CID 122714930

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

N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 122714930) has the molecular formula C16H15F2N5OS and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
• PubChem CID: 122714930
• Molecular Formula: C16H15F2N5OS
• Molecular Weight: 363.39 g/mol
• Exact Mass: 363.10
• IUPAC Name: N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
• SMILES: CC(C)c1nnc2ccc(SCC(=O)Nc3c(F)cccc3F)nn12
• InChI: InChI=1S/C16H15F2N5OS/c1-9(2)16-21-20-12-6-7-14(22-23(12)16)25-8-13(24)19-15-10(17)4-3-5-11(15)18/h3-7,9H,8H2,1-2H3,(H,19,24)
• InChIKey: VNIXJKDMDLGBAP-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.39
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?

The IUPAC name of N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 122714930) is N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is CC(C)c1nnc2ccc(SCC(=O)Nc3c(F)cccc3F)nn12.

What is the InChIKey of N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?

The InChIKey is VNIXJKDMDLGBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5OS/c1-9(2)16-21-20-12-6-7-14(22-23(12)16)25-8-13(24)19-15-10(17)4-3-5-11(15)18/h3-7,9H,8H2,1-2H3,(H,19,24).

What are the key properties of N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?

N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 363.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-difluorophenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 122714930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).