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

C16H17N5OS2 — CID 7190364

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

N-cyclopentyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 7190364) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
• PubChem CID: 7190364
• Molecular Formula: C16H17N5OS2
• Molecular Weight: 359.48 g/mol
• Exact Mass: 359.09
• IUPAC Name: N-cyclopentyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
• SMILES: O=C(CSc1ccc2nnc(-c3cccs3)n2n1)NC1CCCC1
• InChI: InChI=1S/C16H17N5OS2/c22-14(17-11-4-1-2-5-11)10-24-15-8-7-13-18-19-16(21(13)20-15)12-6-3-9-23-12/h3,6-9,11H,1-2,4-5,10H2,(H,17,22)
• InChIKey: BVGPJHDLCVEXJN-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.48
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 7190364) is N-cyclopentyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-cyclopentyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is O=C(CSc1ccc2nnc(-c3cccs3)n2n1)NC1CCCC1.

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

The InChIKey is BVGPJHDLCVEXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS2/c22-14(17-11-4-1-2-5-11)10-24-15-8-7-13-18-19-16(21(13)20-15)12-6-3-9-23-12/h3,6-9,11H,1-2,4-5,10H2,(H,17,22).

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

N-cyclopentyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 359.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 7190364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).