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

C19H25F3N6O — CID 42654035

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

N-cycloheptyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide (PubChem CID 42654035) has the molecular formula C19H25F3N6O and a molecular weight of 410.44 g/mol. Its IUPAC name is N-cycloheptyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cycloheptyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide
• PubChem CID: 42654035
• Molecular Formula: C19H25F3N6O
• Molecular Weight: 410.44 g/mol
• Exact Mass: 410.20
• IUPAC Name: N-cycloheptyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide
• SMILES: O=C(NC1CCCCCC1)C1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1
• InChI: InChI=1S/C19H25F3N6O/c20-19(21,22)18-25-24-15-9-10-16(26-28(15)18)27-11-5-6-13(12-27)17(29)23-14-7-3-1-2-4-8-14/h9-10,13-14H,1-8,11-12H2,(H,23,29)
• InChIKey: NEUVEGGNVAYOGA-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.44
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cycloheptyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide (CID 42654035) is N-cycloheptyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide.

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

The canonical SMILES for N-cycloheptyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1.

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

The InChIKey is NEUVEGGNVAYOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N6O/c20-19(21,22)18-25-24-15-9-10-16(26-28(15)18)27-11-5-6-13(12-27)17(29)23-14-7-3-1-2-4-8-14/h9-10,13-14H,1-8,11-12H2,(H,23,29).

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

N-cycloheptyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide is sourced from PubChem (CID 42654035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).