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

C8H8F3N5O — CID 607348

IUPAC2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
SMILESOCCNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C8H8F3N5O/c9-8(10,11)7-14-13-6-2-1-5(12-3-4-17)15-16(6)7/h1-2,17H,3-4H2,(H,12,15)
InChIKeyAYROONRJGKHNFO-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.55
Rot. Bonds3

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

2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol (PubChem CID 607348) has the molecular formula C8H8F3N5O and a molecular weight of 247.18 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
PubChem CID607348
Molecular FormulaC8H8F3N5O
Molecular Weight247.18 g/mol
Exact Mass247.07
IUPAC Name2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
SMILESOCCNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C8H8F3N5O/c9-8(10,11)7-14-13-6-2-1-5(12-3-4-17)15-16(6)7/h1-2,17H,3-4H2,(H,12,15)
InChIKeyAYROONRJGKHNFO-UHFFFAOYSA-N
XLogP0.55
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
The IUPAC name of 2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol (CID 607348) is 2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol is OCCNc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
The InChIKey is AYROONRJGKHNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O/c9-8(10,11)7-14-13-6-2-1-5(12-3-4-17)15-16(6)7/h1-2,17H,3-4H2,(H,12,15).
What are the key properties of 2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol has a molecular weight of 247.18 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol is sourced from PubChem (CID 607348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).