1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone

C16H20F3N7O — CID 35919133

About 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone

1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone (PubChem CID 35919133) has the molecular formula C16H20F3N7O and a molecular weight of 383.38 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone
• PubChem CID: 35919133
• Molecular Formula: C16H20F3N7O
• Molecular Weight: 383.38 g/mol
• Exact Mass: 383.17
• IUPAC Name: 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone
• SMILES: O=C(CN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCCC1
• InChI: InChI=1S/C16H20F3N7O/c17-16(18,19)15-21-20-12-3-4-13(22-26(12)15)24-9-7-23(8-10-24)11-14(27)25-5-1-2-6-25/h3-4H,1-2,5-11H2
• InChIKey: PCTXGZJSDKREJU-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 69.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.38
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone?

The IUPAC name of 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone (CID 35919133) is 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCCC1.

What is the InChIKey of 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone?

The InChIKey is PCTXGZJSDKREJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N7O/c17-16(18,19)15-21-20-12-3-4-13(22-26(12)15)24-9-7-23(8-10-24)11-14(27)25-5-1-2-6-25/h3-4H,1-2,5-11H2.

What are the key properties of 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone?

1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone has a molecular weight of 383.38 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 35919133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).