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

C18H19F3N8 — CID 126893382

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

6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126893382) has the molecular formula C18H19F3N8 and a molecular weight of 404.40 g/mol. Its IUPAC name is 6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 126893382
• Molecular Formula: C18H19F3N8
• Molecular Weight: 404.40 g/mol
• Exact Mass: 404.17
• IUPAC Name: 6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: FC(F)(F)c1nnc2ccc(N3CC(N4CCN(c5ccccn5)CC4)C3)nn12
• InChI: InChI=1S/C18H19F3N8/c19-18(20,21)17-24-23-15-4-5-16(25-29(15)17)28-11-13(12-28)26-7-9-27(10-8-26)14-3-1-2-6-22-14/h1-6,13H,7-12H2
• InChIKey: STQALQQXEHXCGM-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 65.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.40
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 126893382) is 6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

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

The canonical SMILES for 6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(N3CC(N4CCN(c5ccccn5)CC4)C3)nn12.

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

The InChIKey is STQALQQXEHXCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N8/c19-18(20,21)17-24-23-15-4-5-16(25-29(15)17)28-11-13(12-28)26-7-9-27(10-8-26)14-3-1-2-6-22-14/h1-6,13H,7-12H2.

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

6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 404.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126893382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).