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

C27H24N6O3 — CID 16873297

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

3,4-diethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 16873297) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 3,4-diethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3,4-diethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• PubChem CID: 16873297
• Molecular Formula: C27H24N6O3
• Molecular Weight: 480.53 g/mol
• Exact Mass: 480.19
• IUPAC Name: 3,4-diethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• SMILES: CCOc1ccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)cc1OCC
• InChI: InChI=1S/C27H24N6O3/c1-3-35-23-10-8-20(17-24(23)36-4-2)27(34)29-21-7-5-6-19(16-21)22-9-11-25-30-31-26(33(25)32-22)18-12-14-28-15-13-18/h5-17H,3-4H2,1-2H3,(H,29,34)
• InChIKey: GZEVODATXMXCJV-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 103.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.53
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3,4-diethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 16873297) is 3,4-diethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

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

The canonical SMILES for 3,4-diethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)cc1OCC.

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

The InChIKey is GZEVODATXMXCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c1-3-35-23-10-8-20(17-24(23)36-4-2)27(34)29-21-7-5-6-19(16-21)22-9-11-25-30-31-26(33(25)32-22)18-12-14-28-15-13-18/h5-17H,3-4H2,1-2H3,(H,29,34).

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

3,4-diethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 480.53 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-diethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 16873297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).