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

C25H18Cl2N6O2 — CID 16873108

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

2-(2,4-dichlorophenoxy)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (PubChem CID 16873108) has the molecular formula C25H18Cl2N6O2 and a molecular weight of 505.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenoxy)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
• PubChem CID: 16873108
• Molecular Formula: C25H18Cl2N6O2
• Molecular Weight: 505.37 g/mol
• Exact Mass: 504.09
• IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
• SMILES: CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc3nnc(-c4cccnc4)n3n2)cc1
• InChI: InChI=1S/C25H18Cl2N6O2/c1-15(35-22-10-6-18(26)13-20(22)27)25(34)29-19-7-4-16(5-8-19)21-9-11-23-30-31-24(33(23)32-21)17-3-2-12-28-14-17/h2-15H,1H3,(H,29,34)
• InChIKey: UVIHPEGIHZSHKV-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.37
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (CID 16873108) is 2-(2,4-dichlorophenoxy)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.

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

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc3nnc(-c4cccnc4)n3n2)cc1.

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

The InChIKey is UVIHPEGIHZSHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N6O2/c1-15(35-22-10-6-18(26)13-20(22)27)25(34)29-19-7-4-16(5-8-19)21-9-11-23-30-31-24(33(23)32-21)17-3-2-12-28-14-17/h2-15H,1H3,(H,29,34).

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

2-(2,4-dichlorophenoxy)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide has a molecular weight of 505.37 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenoxy)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 16873108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).