2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide

C26H20N6O4 — CID 43971649

About 2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide

2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (PubChem CID 43971649) has the molecular formula C26H20N6O4 and a molecular weight of 480.48 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
• PubChem CID: 43971649
• Molecular Formula: C26H20N6O4
• Molecular Weight: 480.48 g/mol
• Exact Mass: 480.15
• IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
• SMILES: CC(Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1
• InChI: InChI=1S/C26H20N6O4/c1-16(36-20-7-9-22-23(13-20)35-15-34-22)26(33)28-19-6-2-4-17(12-19)21-8-10-24-29-30-25(32(24)31-21)18-5-3-11-27-14-18/h2-14,16H,15H2,1H3,(H,28,33)
• InChIKey: BHHOQFFBMCQPEF-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 112.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.48
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?

The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (CID 43971649) is 2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?

The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is CC(Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?

The InChIKey is BHHOQFFBMCQPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O4/c1-16(36-20-7-9-22-23(13-20)35-15-34-22)26(33)28-19-6-2-4-17(12-19)21-8-10-24-29-30-25(32(24)31-21)18-5-3-11-27-14-18/h2-14,16H,15H2,1H3,(H,28,33).

What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?

2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide has a molecular weight of 480.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yloxy)-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 43971649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).