2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

C20H21F3N4O2 — CID 118743700

IUPAC2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCN1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H20N4.C2HF3O2/c1-21-11-9-15(10-12-21)18-19-17-8-7-16(13-22(17)20-18)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-8,13,15H,9-12H2,1H3;(H,6,7)
InChIKeyKDBAVGYBYSGISL-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.84
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118743700) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID118743700
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCN1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H20N4.C2HF3O2/c1-21-11-9-15(10-12-21)18-19-17-8-7-16(13-22(17)20-18)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-8,13,15H,9-12H2,1H3;(H,6,7)
InChIKeyKDBAVGYBYSGISL-UHFFFAOYSA-N
XLogP3.84
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 118743700) is 2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is CN1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is KDBAVGYBYSGISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4.C2HF3O2/c1-21-11-9-15(10-12-21)18-19-17-8-7-16(13-22(17)20-18)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-8,13,15H,9-12H2,1H3;(H,6,7).
What are the key properties of 2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 406.41 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).