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

C9H9F3N4O — CID 43154745

IUPAC2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
SMILESNC(CO)c1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)5-1-2-7-14-15-8(6(13)4-17)16(7)3-5/h1-3,6,17H,4,13H2
InChIKeyWNEZKLHXJSLWRP-UHFFFAOYSA-N
MW246.19 g/mol
LogP0.74
Rot. Bonds2

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

2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol (PubChem CID 43154745) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
PubChem CID43154745
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
SMILESNC(CO)c1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)5-1-2-7-14-15-8(6(13)4-17)16(7)3-5/h1-3,6,17H,4,13H2
InChIKeyWNEZKLHXJSLWRP-UHFFFAOYSA-N
XLogP0.74
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 65347901
ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine
CID 142870222
N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 62852609
2-amino-2-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanol
CID 83889517
2-amino-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 24695884
3-amino-3-methyl-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]butanamide
CID 58784011
2-methyl-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propan-2-ol
CID 110932451
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18100245
(2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide
CID 33480155
2-amino-1-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanol
CID 84704969
tert-butyl N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]carbamate
CID 58431955
2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine
CID 79457043

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol?
The IUPAC name of 2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol (CID 43154745) is 2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol is NC(CO)c1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol?
The InChIKey is WNEZKLHXJSLWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)5-1-2-7-14-15-8(6(13)4-17)16(7)3-5/h1-3,6,17H,4,13H2.
What are the key properties of 2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol?
2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol has a molecular weight of 246.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol is sourced from PubChem (CID 43154745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).