6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C20H16F3N5 — CID 133272292

IUPAC6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCCC3c3cccc4ccccc34)nn12
InChIInChI=1S/C20H16F3N5/c21-20(22,23)19-25-24-17-10-11-18(26-28(17)19)27-12-4-9-16(27)15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,10-11,16H,4,9,12H2
InChIKeyBJXGGWBTVOSWJI-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.64
Rot. Bonds2

About 6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133272292) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133272292
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCCC3c3cccc4ccccc34)nn12
InChIInChI=1S/C20H16F3N5/c21-20(22,23)19-25-24-17-10-11-18(26-28(17)19)27-12-4-9-16(27)15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,10-11,16H,4,9,12H2
InChIKeyBJXGGWBTVOSWJI-UHFFFAOYSA-N
XLogP4.64
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 133272292) is 6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(N3CCCC3c3cccc4ccccc34)nn12.
What is the InChIKey of 6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is BJXGGWBTVOSWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5/c21-20(22,23)19-25-24-17-10-11-18(26-28(17)19)27-12-4-9-16(27)15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,10-11,16H,4,9,12H2.
What are the key properties of 6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 383.38 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133272292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).