2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol

C8H8F3N5O — CID 84803300

IUPAC2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESNC(CO)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H8F3N5O/c9-8(10,11)6-14-7-13-1-4(5(12)3-17)2-16(7)15-6/h1-2,5,17H,3,12H2
InChIKeyWEZDRUUSSLCVKS-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.14
Rot. Bonds2

About 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol

2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol (PubChem CID 84803300) has the molecular formula C8H8F3N5O and a molecular weight of 247.18 g/mol. Its IUPAC name is 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
PubChem CID84803300
Molecular FormulaC8H8F3N5O
Molecular Weight247.18 g/mol
Exact Mass247.07
IUPAC Name2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESNC(CO)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H8F3N5O/c9-8(10,11)6-14-7-13-1-4(5(12)3-17)2-16(7)15-6/h1-2,5,17H,3,12H2
InChIKeyWEZDRUUSSLCVKS-UHFFFAOYSA-N
XLogP0.14
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1,2,4]Triazolo[1,5-a]pyrimidine-6-ethanol
CID 25248177
2-{3-Bromopyrazolo[1,5-a]pyrimidin-6-yl}ethan-1-ol
CID 119031475
3-(4-Aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol
CID 130427368
1-(4-Aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol
CID 130427715
6-(2-hydroxyethyl)-N-[(1R)-2-methyl-1-(trifluoromethyl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74231241
1-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 84726232
N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 84728420
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
CID 84794145
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
CID 84794146
N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
CID 84802830
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-amine
CID 84802832
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine
CID 84802833

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The IUPAC name of 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol (CID 84803300) is 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The canonical SMILES for 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol is NC(CO)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The InChIKey is WEZDRUUSSLCVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O/c9-8(10,11)6-14-7-13-1-4(5(12)3-17)2-16(7)15-6/h1-2,5,17H,3,12H2.
What are the key properties of 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol has a molecular weight of 247.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 84803300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).