5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine

C14H19F3N8 — CID 133349674

About 5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine

5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine (PubChem CID 133349674) has the molecular formula C14H19F3N8 and a molecular weight of 356.36 g/mol. Its IUPAC name is 5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine.

Molecular Properties

• Compound Name: 5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine
• PubChem CID: 133349674
• Molecular Formula: C14H19F3N8
• Molecular Weight: 356.36 g/mol
• Exact Mass: 356.17
• IUPAC Name: 5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine
• SMILES: NC1CC(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)NN1
• InChI: InChI=1S/C14H19F3N8/c15-14(16,17)13-22-21-11-1-2-12(23-25(11)13)24-5-3-8(4-6-24)9-7-10(18)20-19-9/h1-2,8-10,19-20H,3-7,18H2
• InChIKey: YINDPZOZJNFOFO-UHFFFAOYSA-N
• XLogP: 0.51
• TPSA: 96.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.36
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine?

The IUPAC name of 5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine (CID 133349674) is 5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine.

What is the SMILES notation for 5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine?

The canonical SMILES for 5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine is NC1CC(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)NN1.

What is the InChIKey of 5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine?

The InChIKey is YINDPZOZJNFOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N8/c15-14(16,17)13-22-21-11-1-2-12(23-25(11)13)24-5-3-8(4-6-24)9-7-10(18)20-19-9/h1-2,8-10,19-20H,3-7,18H2.

What are the key properties of 5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine?

5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine has a molecular weight of 356.36 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine is sourced from PubChem (CID 133349674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).