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

C14H10F3N3O — CID 59612597

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESOc1cccn2nc(Cc3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)10-5-3-9(4-6-10)8-12-18-13-11(21)2-1-7-20(13)19-12/h1-7,21H,8H2
InChIKeyNJTQYLIQFVZVDU-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.04
Rot. Bonds2

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

2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 59612597) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID59612597
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESOc1cccn2nc(Cc3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)10-5-3-9(4-6-10)8-12-18-13-11(21)2-1-7-20(13)19-12/h1-7,21H,8H2
InChIKeyNJTQYLIQFVZVDU-UHFFFAOYSA-N
XLogP3.04
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 59612597) is 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol is Oc1cccn2nc(Cc3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is NJTQYLIQFVZVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)10-5-3-9(4-6-10)8-12-18-13-11(21)2-1-7-20(13)19-12/h1-7,21H,8H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 293.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 59612597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).