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

C9H8F5N5O — CID 618905

IUPAC2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
SMILESOCCNc1ccc2nnc(C(F)(F)C(F)(F)F)n2n1
InChIInChI=1S/C9H8F5N5O/c10-8(11,9(12,13)14)7-17-16-6-2-1-5(15-3-4-20)18-19(6)7/h1-2,20H,3-4H2,(H,15,18)
InChIKeyBQWMTGROFWJPKY-UHFFFAOYSA-N
MW297.19 g/mol
LogP1.18
Rot. Bonds4

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

2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol (PubChem CID 618905) has the molecular formula C9H8F5N5O and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
PubChem CID618905
Molecular FormulaC9H8F5N5O
Molecular Weight297.19 g/mol
Exact Mass297.06
IUPAC Name2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
SMILESOCCNc1ccc2nnc(C(F)(F)C(F)(F)F)n2n1
InChIInChI=1S/C9H8F5N5O/c10-8(11,9(12,13)14)7-17-16-6-2-1-5(15-3-4-20)18-19(6)7/h1-2,20H,3-4H2,(H,15,18)
InChIKeyBQWMTGROFWJPKY-UHFFFAOYSA-N
XLogP1.18
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
The IUPAC name of 2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol (CID 618905) is 2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol is OCCNc1ccc2nnc(C(F)(F)C(F)(F)F)n2n1.
What is the InChIKey of 2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
The InChIKey is BQWMTGROFWJPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N5O/c10-8(11,9(12,13)14)7-17-16-6-2-1-5(15-3-4-20)18-19(6)7/h1-2,20H,3-4H2,(H,15,18).
What are the key properties of 2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol has a molecular weight of 297.19 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol is sourced from PubChem (CID 618905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).