6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine

C13H8F3N3O — CID 66849404

IUPAC6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc3ncnn3c2)cc1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)20-11-4-1-9(2-5-11)10-3-6-12-17-8-18-19(12)7-10/h1-8H
InChIKeyWPGPHZLRUDISOQ-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.29
Rot. Bonds2

About 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine

6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 66849404) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID66849404
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc3ncnn3c2)cc1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)20-11-4-1-9(2-5-11)10-3-6-12-17-8-18-19(12)7-10/h1-8H
InChIKeyWPGPHZLRUDISOQ-UHFFFAOYSA-N
XLogP3.29
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 66849404) is 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(F)Oc1ccc(-c2ccc3ncnn3c2)cc1.
What is the InChIKey of 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WPGPHZLRUDISOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)20-11-4-1-9(2-5-11)10-3-6-12-17-8-18-19(12)7-10/h1-8H.
What are the key properties of 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 279.22 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 66849404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).