6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C14H10F3N3O — CID 66849358

IUPAC6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1
InChIInChI=1S/C14H10F3N3O/c1-21-11-5-2-9(3-6-11)10-4-7-12-18-19-13(14(15,16)17)20(12)8-10/h2-8H,1H3
InChIKeyKSNARODGSPJGFQ-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.42
Rot. Bonds2

About 6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66849358) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66849358
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1
InChIInChI=1S/C14H10F3N3O/c1-21-11-5-2-9(3-6-11)10-4-7-12-18-19-13(14(15,16)17)20(12)8-10/h2-8H,1H3
InChIKeyKSNARODGSPJGFQ-UHFFFAOYSA-N
XLogP3.42
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 66849358) is 6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KSNARODGSPJGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-21-11-5-2-9(3-6-11)10-4-7-12-18-19-13(14(15,16)17)20(12)8-10/h2-8H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 293.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66849358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).