2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol

C13H12F3N3O — CID 117128524

IUPAC2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESOC1CCc2nc(-c3ccccc3C(F)(F)F)nn2C1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12-17-11-6-5-8(20)7-19(11)18-12/h1-4,8,20H,5-7H2
InChIKeyXAZBTKJMNRGADL-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.27
Rot. Bonds1

About 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol

2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol (PubChem CID 117128524) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
PubChem CID117128524
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESOC1CCc2nc(-c3ccccc3C(F)(F)F)nn2C1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12-17-11-6-5-8(20)7-19(11)18-12/h1-4,8,20H,5-7H2
InChIKeyXAZBTKJMNRGADL-UHFFFAOYSA-N
XLogP2.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol (CID 117128524) is 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol is OC1CCc2nc(-c3ccccc3C(F)(F)F)nn2C1.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The InChIKey is XAZBTKJMNRGADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12-17-11-6-5-8(20)7-19(11)18-12/h1-4,8,20H,5-7H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol has a molecular weight of 283.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 117128524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).