2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C20H18N6O2 — CID 71706477

About 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 71706477) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
• PubChem CID: 71706477
• Molecular Formula: C20H18N6O2
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.15
• IUPAC Name: 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
• SMILES: O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCc1nnc2ccccn12
• InChI: InChI=1S/C20H18N6O2/c27-19(21-12-11-18-23-22-17-8-4-5-13-25(17)18)14-26-20(28)10-9-16(24-26)15-6-2-1-3-7-15/h1-10,13H,11-12,14H2,(H,21,27)
• InChIKey: ZTIFPGUTQBKLMY-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 94.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?

The IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 71706477) is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

What is the SMILES notation for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?

The canonical SMILES for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCc1nnc2ccccn12.

What is the InChIKey of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?

The InChIKey is ZTIFPGUTQBKLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-19(21-12-11-18-23-22-17-8-4-5-13-25(17)18)14-26-20(28)10-9-16(24-26)15-6-2-1-3-7-15/h1-10,13H,11-12,14H2,(H,21,27).

What are the key properties of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?

2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 71706477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).