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

C26H22N6O2 — CID 16873368

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

2-(4-ethoxyphenyl)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 16873368) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-ethoxyphenyl)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
• PubChem CID: 16873368
• Molecular Formula: C26H22N6O2
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.18
• IUPAC Name: 2-(4-ethoxyphenyl)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
• SMILES: CCOc1ccc(CC(=O)Nc2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)cc1
• InChI: InChI=1S/C26H22N6O2/c1-2-34-22-10-8-18(9-11-22)15-25(33)28-21-7-3-5-19(16-21)23-12-13-24-29-30-26(32(24)31-23)20-6-4-14-27-17-20/h3-14,16-17H,2,15H2,1H3,(H,28,33)
• InChIKey: MLOAHFABYDLUCO-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(4-ethoxyphenyl)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 16873368) is 2-(4-ethoxyphenyl)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

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

The canonical SMILES for 2-(4-ethoxyphenyl)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is CCOc1ccc(CC(=O)Nc2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)cc1.

What is the InChIKey of 2-(4-ethoxyphenyl)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?

The InChIKey is MLOAHFABYDLUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-2-34-22-10-8-18(9-11-22)15-25(33)28-21-7-3-5-19(16-21)23-12-13-24-29-30-26(32(24)31-23)20-6-4-14-27-17-20/h3-14,16-17H,2,15H2,1H3,(H,28,33).

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

2-(4-ethoxyphenyl)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 450.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethoxyphenyl)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 16873368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).