2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide

C16H22Cl2N4OS — CID 135773611

About 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide

2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide (PubChem CID 135773611) has the molecular formula C16H22Cl2N4OS and a molecular weight of 389.35 g/mol. Its IUPAC name is 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide.

Molecular Properties

• Compound Name: 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide
• PubChem CID: 135773611
• Molecular Formula: C16H22Cl2N4OS
• Molecular Weight: 389.35 g/mol
• Exact Mass: 388.09
• IUPAC Name: 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide
• SMILES: CCCC[C@@H](CC)CNC(=O)CSc1nnc2c(Cl)cc(Cl)cn12
• InChI: InChI=1S/C16H22Cl2N4OS/c1-3-5-6-11(4-2)8-19-14(23)10-24-16-21-20-15-13(18)7-12(17)9-22(15)16/h7,9,11H,3-6,8,10H2,1-2H3,(H,19,23)/t11-/m1/s1
• InChIKey: NCXFAPVHYRXFHP-LLVKDONJSA-N
• XLogP: 4.46
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.35
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide?

The IUPAC name of 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide (CID 135773611) is 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide.

What is the SMILES notation for 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide?

The canonical SMILES for 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide is CCCC[C@@H](CC)CNC(=O)CSc1nnc2c(Cl)cc(Cl)cn12.

What is the InChIKey of 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide?

The InChIKey is NCXFAPVHYRXFHP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22Cl2N4OS/c1-3-5-6-11(4-2)8-19-14(23)10-24-16-21-20-15-13(18)7-12(17)9-22(15)16/h7,9,11H,3-6,8,10H2,1-2H3,(H,19,23)/t11-/m1/s1.

What are the key properties of 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide?

2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide has a molecular weight of 389.35 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide is sourced from PubChem (CID 135773611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).