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

C24H24N6O — CID 134803479

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

4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide (PubChem CID 134803479) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
• PubChem CID: 134803479
• Molecular Formula: C24H24N6O
• Molecular Weight: 412.50 g/mol
• Exact Mass: 412.20
• IUPAC Name: 4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
• SMILES: Cc1ccc(C(=O)NC2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1
• InChI: InChI=1S/C24H24N6O/c1-17-7-9-19(10-8-17)24(31)25-20-13-15-29(16-14-20)22-12-11-21-26-27-23(30(21)28-22)18-5-3-2-4-6-18/h2-12,20H,13-16H2,1H3,(H,25,31)
• InChIKey: BNKCKSKCGUWPFL-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 75.42 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	412.50
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide (CID 134803479) is 4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide.

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

The canonical SMILES for 4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide is Cc1ccc(C(=O)NC2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1.

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

The InChIKey is BNKCKSKCGUWPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-17-7-9-19(10-8-17)24(31)25-20-13-15-29(16-14-20)22-12-11-21-26-27-23(30(21)28-22)18-5-3-2-4-6-18/h2-12,20H,13-16H2,1H3,(H,25,31).

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

4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide has a molecular weight of 412.50 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 134803479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).