N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide

C20H30N6O — CID 42653402

About N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide

N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide (PubChem CID 42653402) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
• PubChem CID: 42653402
• Molecular Formula: C20H30N6O
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.25
• IUPAC Name: N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
• SMILES: Cc1nnc2ccc(N3CCCC(C(=O)NC4CCCCCCC4)C3)nn12
• InChI: InChI=1S/C20H30N6O/c1-15-22-23-18-11-12-19(24-26(15)18)25-13-7-8-16(14-25)20(27)21-17-9-5-3-2-4-6-10-17/h11-12,16-17H,2-10,13-14H2,1H3,(H,21,27)
• InChIKey: PNSHYQHGDCXVSY-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide (CID 42653402) is N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide.

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

The canonical SMILES for N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide is Cc1nnc2ccc(N3CCCC(C(=O)NC4CCCCCCC4)C3)nn12.

What is the InChIKey of N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?

The InChIKey is PNSHYQHGDCXVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-15-22-23-18-11-12-19(24-26(15)18)25-13-7-8-16(14-25)20(27)21-17-9-5-3-2-4-6-10-17/h11-12,16-17H,2-10,13-14H2,1H3,(H,21,27).

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

N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 42653402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).