N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

C21H26N6O3 — CID 20903995

About N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 20903995) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
• PubChem CID: 20903995
• Molecular Formula: C21H26N6O3
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.21
• IUPAC Name: N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
• SMILES: COc1ccc(NC(=O)CCc2nnc3ccc(N4CCCCC4)nn23)cc1OC
• InChI: InChI=1S/C21H26N6O3/c1-29-16-7-6-15(14-17(16)30-2)22-21(28)11-10-19-24-23-18-8-9-20(25-27(18)19)26-12-4-3-5-13-26/h6-9,14H,3-5,10-13H2,1-2H3,(H,22,28)
• InChIKey: ZSBBAEWQWNECEG-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 20903995) is N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

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

The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is COc1ccc(NC(=O)CCc2nnc3ccc(N4CCCCC4)nn23)cc1OC.

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

The InChIKey is ZSBBAEWQWNECEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-29-16-7-6-15(14-17(16)30-2)22-21(28)11-10-19-24-23-18-8-9-20(25-27(18)19)26-12-4-3-5-13-26/h6-9,14H,3-5,10-13H2,1-2H3,(H,22,28).

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

N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 410.48 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 20903995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).