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

C20H15Cl2N5O2 — CID 16872844

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

2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 16872844) has the molecular formula C20H15Cl2N5O2 and a molecular weight of 428.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
• PubChem CID: 16872844
• Molecular Formula: C20H15Cl2N5O2
• Molecular Weight: 428.28 g/mol
• Exact Mass: 427.06
• IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
• SMILES: Cc1nnc2ccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)nn12
• InChI: InChI=1S/C20H15Cl2N5O2/c1-12-24-25-19-8-6-17(26-27(12)19)13-3-2-4-15(9-13)23-20(28)11-29-18-7-5-14(21)10-16(18)22/h2-10H,11H2,1H3,(H,23,28)
• InChIKey: HJBKFMCJZSFZEI-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.28
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 16872844) is 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

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

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is Cc1nnc2ccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)nn12.

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

The InChIKey is HJBKFMCJZSFZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O2/c1-12-24-25-19-8-6-17(26-27(12)19)13-3-2-4-15(9-13)23-20(28)11-29-18-7-5-14(21)10-16(18)22/h2-10H,11H2,1H3,(H,23,28).

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

2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 428.28 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 16872844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).