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

C7H5F5N6 — CID 556242

IUPAC[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
SMILESNNc1ccc2nnc(C(F)(F)C(F)(F)F)n2n1
InChIInChI=1S/C7H5F5N6/c8-6(9,7(10,11)12)5-16-15-4-2-1-3(14-13)17-18(4)5/h1-2H,13H2,(H,14,17)
InChIKeyXMWJUWVAJLGGPP-UHFFFAOYSA-N
MW268.15 g/mol
LogP1.06
Rot. Bonds2

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

[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine (PubChem CID 556242) has the molecular formula C7H5F5N6 and a molecular weight of 268.15 g/mol. Its IUPAC name is [3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine.

Molecular Properties

Compound Name[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
PubChem CID556242
Molecular FormulaC7H5F5N6
Molecular Weight268.15 g/mol
Exact Mass268.05
IUPAC Name[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
SMILESNNc1ccc2nnc(C(F)(F)C(F)(F)F)n2n1
InChIInChI=1S/C7H5F5N6/c8-6(9,7(10,11)12)5-16-15-4-2-1-3(14-13)17-18(4)5/h1-2H,13H2,(H,14,17)
InChIKeyXMWJUWVAJLGGPP-UHFFFAOYSA-N
XLogP1.06
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 51.06
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [3-(1,1,2,2,2-pentafluoroethyl)-[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

Related Compounds

{[1,2,4]Triazolo[4,3-b]pyridazin-6-yl}hydrazine
CID 4264519
3-(Trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazin-6-amine
CID 4915708
6-(1-Pyrrolidinyl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1476857
N-[3-(Perfluoropropyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylamine
CID 3124959
[3-(Perfluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
CID 3124957
6-Hydrazinyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 612763
6-Chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 4146965
6-Chloro-3-(2,2,2-trifluoroethyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 43144349
N-tert-butyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47135604
N-butyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 334712
6-Hydrazinyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 12583717
Pyridazine-3,6-dione, 1-(3-trifluoromethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,2-dihydro-
CID 1205234

Frequently Asked Questions

What is the IUPAC name of [3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
The IUPAC name of [3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine (CID 556242) is [3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine.
What is the SMILES notation for [3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
The canonical SMILES for [3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine is NNc1ccc2nnc(C(F)(F)C(F)(F)F)n2n1.
What is the InChIKey of [3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
The InChIKey is XMWJUWVAJLGGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N6/c8-6(9,7(10,11)12)5-16-15-4-2-1-3(14-13)17-18(4)5/h1-2H,13H2,(H,14,17).
What are the key properties of [3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine has a molecular weight of 268.15 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine is sourced from PubChem (CID 556242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).