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

C14H13Cl2N5OS — CID 7878644

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

N-(1-cyanocyclopentyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide (PubChem CID 7878644) has the molecular formula C14H13Cl2N5OS and a molecular weight of 370.27 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(1-cyanocyclopentyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
• PubChem CID: 7878644
• Molecular Formula: C14H13Cl2N5OS
• Molecular Weight: 370.27 g/mol
• Exact Mass: 369.02
• IUPAC Name: N-(1-cyanocyclopentyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
• SMILES: N#CC1(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)CCCC1
• InChI: InChI=1S/C14H13Cl2N5OS/c15-9-5-10(16)12-19-20-13(21(12)6-9)23-7-11(22)18-14(8-17)3-1-2-4-14/h5-6H,1-4,7H2,(H,18,22)
• InChIKey: IAVWIMWXARRVSF-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 83.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.27
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(1-cyanocyclopentyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide (CID 7878644) is N-(1-cyanocyclopentyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide is N#CC1(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)CCCC1.

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

The InChIKey is IAVWIMWXARRVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5OS/c15-9-5-10(16)12-19-20-13(21(12)6-9)23-7-11(22)18-14(8-17)3-1-2-4-14/h5-6H,1-4,7H2,(H,18,22).

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

N-(1-cyanocyclopentyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide has a molecular weight of 370.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyanocyclopentyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7878644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).