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

C17H16F3N3O — CID 67977704

IUPAC5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOC(C)(C)c1ccc(-c2cccc3nnc(C(F)(F)F)n23)cc1
InChIInChI=1S/C17H16F3N3O/c1-16(2,24-3)12-9-7-11(8-10-12)13-5-4-6-14-21-22-15(23(13)14)17(18,19)20/h4-10H,1-3H3
InChIKeyGOATYKPIXGPJNX-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.30
Rot. Bonds3

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

5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 67977704) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID67977704
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOC(C)(C)c1ccc(-c2cccc3nnc(C(F)(F)F)n23)cc1
InChIInChI=1S/C17H16F3N3O/c1-16(2,24-3)12-9-7-11(8-10-12)13-5-4-6-14-21-22-15(23(13)14)17(18,19)20/h4-10H,1-3H3
InChIKeyGOATYKPIXGPJNX-UHFFFAOYSA-N
XLogP4.30
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 67977704) is 5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is COC(C)(C)c1ccc(-c2cccc3nnc(C(F)(F)F)n23)cc1.
What is the InChIKey of 5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GOATYKPIXGPJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-16(2,24-3)12-9-7-11(8-10-12)13-5-4-6-14-21-22-15(23(13)14)17(18,19)20/h4-10H,1-3H3.
What are the key properties of 5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 335.33 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 67977704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).