6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C7H6F3N5O — CID 58136899

IUPAC6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESNc1nnc2ccc(OCC(F)(F)F)nn12
InChIInChI=1S/C7H6F3N5O/c8-7(9,10)3-16-5-2-1-4-12-13-6(11)15(4)14-5/h1-2H,3H2,(H2,11,13)
InChIKeyAIWFAUDCCIYWKU-UHFFFAOYSA-N
MW233.15 g/mol
LogP0.65
Rot. Bonds2

About 6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 58136899) has the molecular formula C7H6F3N5O and a molecular weight of 233.15 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID58136899
Molecular FormulaC7H6F3N5O
Molecular Weight233.15 g/mol
Exact Mass233.05
IUPAC Name6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESNc1nnc2ccc(OCC(F)(F)F)nn12
InChIInChI=1S/C7H6F3N5O/c8-7(9,10)3-16-5-2-1-4-12-13-6(11)15(4)14-5/h1-2H,3H2,(H2,11,13)
InChIKeyAIWFAUDCCIYWKU-UHFFFAOYSA-N
XLogP0.65
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 58136899) is 6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is Nc1nnc2ccc(OCC(F)(F)F)nn12.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is AIWFAUDCCIYWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5O/c8-7(9,10)3-16-5-2-1-4-12-13-6(11)15(4)14-5/h1-2H,3H2,(H2,11,13).
What are the key properties of 6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 233.15 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 58136899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).