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

C6H5F3N6 — CID 612763

IUPAC[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
SMILESNNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C6H5F3N6/c7-6(8,9)5-13-12-4-2-1-3(11-10)14-15(4)5/h1-2H,10H2,(H,11,14)
InChIKeyUWPXGNHYTITSIH-UHFFFAOYSA-N
MW218.14 g/mol
LogP0.43
Rot. Bonds1

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

[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine (PubChem CID 612763) has the molecular formula C6H5F3N6 and a molecular weight of 218.14 g/mol. Its IUPAC name is [3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
PubChem CID612763
Molecular FormulaC6H5F3N6
Molecular Weight218.14 g/mol
Exact Mass218.05
IUPAC Name[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
SMILESNNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C6H5F3N6/c7-6(8,9)5-13-12-4-2-1-3(11-10)14-15(4)5/h1-2H,10H2,(H,11,14)
InChIKeyUWPXGNHYTITSIH-UHFFFAOYSA-N
XLogP0.43
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine 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 [3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
The IUPAC name of [3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine (CID 612763) is [3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine.
What is the SMILES notation for [3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
The canonical SMILES for [3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine is NNc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of [3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
The InChIKey is UWPXGNHYTITSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N6/c7-6(8,9)5-13-12-4-2-1-3(11-10)14-15(4)5/h1-2H,10H2,(H,11,14).
What are the key properties of [3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine has a molecular weight of 218.14 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine is sourced from PubChem (CID 612763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).