5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine

C15H12F3N3O — CID 117140566

IUPAC5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc2nnc(Cc3ccccc3C(F)(F)F)n12
InChIInChI=1S/C15H12F3N3O/c1-22-14-8-4-7-12-19-20-13(21(12)14)9-10-5-2-3-6-11(10)15(16,17)18/h2-8H,9H2,1H3
InChIKeyANINNJQIPKTSSB-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.35
Rot. Bonds3

About 5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine

5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117140566) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117140566
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc2nnc(Cc3ccccc3C(F)(F)F)n12
InChIInChI=1S/C15H12F3N3O/c1-22-14-8-4-7-12-19-20-13(21(12)14)9-10-5-2-3-6-11(10)15(16,17)18/h2-8H,9H2,1H3
InChIKeyANINNJQIPKTSSB-UHFFFAOYSA-N
XLogP3.35
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117140566) is 5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc2nnc(Cc3ccccc3C(F)(F)F)n12.
What is the InChIKey of 5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ANINNJQIPKTSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-22-14-8-4-7-12-19-20-13(21(12)14)9-10-5-2-3-6-11(10)15(16,17)18/h2-8H,9H2,1H3.
What are the key properties of 5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 307.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117140566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).