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

C8H8F3N5O — CID 84803301

IUPAC2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESNCC(O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H8F3N5O/c9-8(10,11)6-14-7-13-2-4(5(17)1-12)3-16(7)15-6/h2-3,5,17H,1,12H2
InChIKeyHYTVOMCZWIEAHC-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.14
Rot. Bonds2

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

2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol (PubChem CID 84803301) has the molecular formula C8H8F3N5O and a molecular weight of 247.18 g/mol. Its IUPAC name is 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
PubChem CID84803301
Molecular FormulaC8H8F3N5O
Molecular Weight247.18 g/mol
Exact Mass247.07
IUPAC Name2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESNCC(O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H8F3N5O/c9-8(10,11)6-14-7-13-2-4(5(17)1-12)3-16(7)15-6/h2-3,5,17H,1,12H2
InChIKeyHYTVOMCZWIEAHC-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

3-(4-Aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol
CID 130427368
2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 84726230
[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol
CID 84785926
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
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-ol
CID 84802568
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-Amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 84803155
2-Amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 84803300
2-(Methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 84806565
2-(Methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 84806721

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The IUPAC name of 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol (CID 84803301) is 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The canonical SMILES for 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol is NCC(O)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The InChIKey is HYTVOMCZWIEAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O/c9-8(10,11)6-14-7-13-2-4(5(17)1-12)3-16(7)15-6/h2-3,5,17H,1,12H2.
What are the key properties of 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
2-amino-1-[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-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 84803301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).