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

C9H10F3N5O — CID 24587376

IUPAC2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
SMILESCN(CCO)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C9H10F3N5O/c1-16(4-5-18)7-3-2-6-13-14-8(9(10,11)12)17(6)15-7/h2-3,18H,4-5H2,1H3
InChIKeyRGLIRROOTPRDTE-UHFFFAOYSA-N
MW261.21 g/mol
LogP0.57
Rot. Bonds3

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

2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol (PubChem CID 24587376) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
PubChem CID24587376
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
SMILESCN(CCO)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C9H10F3N5O/c1-16(4-5-18)7-3-2-6-13-14-8(9(10,11)12)17(6)15-7/h2-3,18H,4-5H2,1H3
InChIKeyRGLIRROOTPRDTE-UHFFFAOYSA-N
XLogP0.57
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol (CID 24587376) is 2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol is CN(CCO)c1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
The InChIKey is RGLIRROOTPRDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c1-16(4-5-18)7-3-2-6-13-14-8(9(10,11)12)17(6)15-7/h2-3,18H,4-5H2,1H3.
What are the key properties of 2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol has a molecular weight of 261.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol is sourced from PubChem (CID 24587376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).