2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol

C8H7F3N4O — CID 16792150

IUPAC2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESOCCc1cnc2ncnn2c1C(F)(F)F
InChIInChI=1S/C8H7F3N4O/c9-8(10,11)6-5(1-2-16)3-12-7-13-4-14-15(6)7/h3-4,16H,1-2H2
InChIKeyXADSRMONOSVXEQ-UHFFFAOYSA-N
MW232.16 g/mol
LogP0.68
Rot. Bonds2

About 2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol

2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol (PubChem CID 16792150) has the molecular formula C8H7F3N4O and a molecular weight of 232.16 g/mol. Its IUPAC name is 2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
PubChem CID16792150
Molecular FormulaC8H7F3N4O
Molecular Weight232.16 g/mol
Exact Mass232.06
IUPAC Name2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESOCCc1cnc2ncnn2c1C(F)(F)F
InChIInChI=1S/C8H7F3N4O/c9-8(10,11)6-5(1-2-16)3-12-7-13-4-14-15(6)7/h3-4,16H,1-2H2
InChIKeyXADSRMONOSVXEQ-UHFFFAOYSA-N
XLogP0.68
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The IUPAC name of 2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol (CID 16792150) is 2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The canonical SMILES for 2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol is OCCc1cnc2ncnn2c1C(F)(F)F.
What is the InChIKey of 2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The InChIKey is XADSRMONOSVXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O/c9-8(10,11)6-5(1-2-16)3-12-7-13-4-14-15(6)7/h3-4,16H,1-2H2.
What are the key properties of 2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol has a molecular weight of 232.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 16792150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).