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

C24H18N6O — CID 7532743

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

2-methyl-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 7532743) has the molecular formula C24H18N6O and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• PubChem CID: 7532743
• Molecular Formula: C24H18N6O
• Molecular Weight: 406.45 g/mol
• Exact Mass: 406.15
• IUPAC Name: 2-methyl-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• SMILES: Cc1ccccc1C(=O)Nc1cccc(-c2ccc3nnc(-c4ccccn4)n3n2)c1
• InChI: InChI=1S/C24H18N6O/c1-16-7-2-3-10-19(16)24(31)26-18-9-6-8-17(15-18)20-12-13-22-27-28-23(30(22)29-20)21-11-4-5-14-25-21/h2-15H,1H3,(H,26,31)
• InChIKey: XNUZXQFVSHCVOQ-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 85.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.45
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 7532743) is 2-methyl-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

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

The canonical SMILES for 2-methyl-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1cccc(-c2ccc3nnc(-c4ccccn4)n3n2)c1.

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

The InChIKey is XNUZXQFVSHCVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O/c1-16-7-2-3-10-19(16)24(31)26-18-9-6-8-17(15-18)20-12-13-22-27-28-23(30(22)29-20)21-11-4-5-14-25-21/h2-15H,1H3,(H,26,31).

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

2-methyl-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 406.45 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 7532743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).