2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide

C23H23N5O3 — CID 43971607

About 2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide

2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (PubChem CID 43971607) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
• PubChem CID: 43971607
• Molecular Formula: C23H23N5O3
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.18
• IUPAC Name: 2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
• SMILES: CCOc1cccc(OC(C)C(=O)Nc2cccc(-c3ccc4nnc(C)n4n3)c2)c1
• InChI: InChI=1S/C23H23N5O3/c1-4-30-19-9-6-10-20(14-19)31-15(2)23(29)24-18-8-5-7-17(13-18)21-11-12-22-26-25-16(3)28(22)27-21/h5-15H,4H2,1-3H3,(H,24,29)
• InChIKey: JLSVZOBSXUJQLL-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 90.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (CID 43971607) is 2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.

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

The canonical SMILES for 2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is CCOc1cccc(OC(C)C(=O)Nc2cccc(-c3ccc4nnc(C)n4n3)c2)c1.

What is the InChIKey of 2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?

The InChIKey is JLSVZOBSXUJQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-4-30-19-9-6-10-20(14-19)31-15(2)23(29)24-18-8-5-7-17(13-18)21-11-12-22-26-25-16(3)28(22)27-21/h5-15H,4H2,1-3H3,(H,24,29).

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

2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide has a molecular weight of 417.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 43971607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).