6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C20H17F3N8 — CID 126913152

About 6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126913152) has the molecular formula C20H17F3N8 and a molecular weight of 426.41 g/mol. Its IUPAC name is 6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 126913152
• Molecular Formula: C20H17F3N8
• Molecular Weight: 426.41 g/mol
• Exact Mass: 426.15
• IUPAC Name: 6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: FC(F)(F)c1ccc(N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)nn1
• InChI: InChI=1S/C20H17F3N8/c21-20(22,23)16-4-6-17(26-25-16)30-10-7-13(8-11-30)19-28-27-18-5-3-15(29-31(18)19)14-2-1-9-24-12-14/h1-6,9,12-13H,7-8,10-11H2
• InChIKey: ZCJCDWOIHLLLFL-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 84.99 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.41
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126913152) is 6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1ccc(N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)nn1.

What is the InChIKey of 6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is ZCJCDWOIHLLLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N8/c21-20(22,23)16-4-6-17(26-25-16)30-10-7-13(8-11-30)19-28-27-18-5-3-15(29-31(18)19)14-2-1-9-24-12-14/h1-6,9,12-13H,7-8,10-11H2.

What are the key properties of 6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?

6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 426.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126913152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).