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

C7H5F3N4O — CID 84785926

IUPAC[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol
SMILESOCc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)5-12-6-11-1-4(3-15)2-14(6)13-5/h1-2,15H,3H2
InChIKeyQOKNYBQCQVUCEV-UHFFFAOYSA-N
MW218.14 g/mol
LogP0.64
Rot. Bonds1

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

[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol (PubChem CID 84785926) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol.

Molecular Properties

Compound Name[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol
PubChem CID84785926
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol
SMILESOCc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)5-12-6-11-1-4(3-15)2-14(6)13-5/h1-2,15H,3H2
InChIKeyQOKNYBQCQVUCEV-UHFFFAOYSA-N
XLogP0.64
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 16785453
8-Methyl-5-(2,2,2-trifluoro-ethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-ylamine
CID 67335905
[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]boronic acid
CID 171812662
[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 84785054
N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine
CID 84795834
N-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine
CID 84803299
2-Amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 84803301
2-(Methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 84806721
3-Amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
CID 84806723
[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-5-yl]methanol
CID 104218786
[2-[4-(Trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol
CID 104218887
2,2-Difluoro-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 104858552

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol?
The IUPAC name of [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol (CID 84785926) is [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol.
What is the SMILES notation for [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol?
The canonical SMILES for [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol is OCc1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol?
The InChIKey is QOKNYBQCQVUCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c8-7(9,10)5-12-6-11-1-4(3-15)2-14(6)13-5/h1-2,15H,3H2.
What are the key properties of [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol?
[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol has a molecular weight of 218.14 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol is sourced from PubChem (CID 84785926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).