6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

C17H23F3N4O2 — CID 155853436

IUPAC6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccc2nc(C3CCN(C(C)C)CC3)nn2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4.C2HF3O2/c1-11(2)18-8-6-13(7-9-18)15-16-14-5-4-12(3)10-19(14)17-15;3-2(4,5)1(6)7/h4-5,10-11,13H,6-9H2,1-3H3;(H,6,7)
InChIKeyBCYUPMAQTGFVGJ-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.26
Rot. Bonds2

About 6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 155853436) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID155853436
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccc2nc(C3CCN(C(C)C)CC3)nn2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4.C2HF3O2/c1-11(2)18-8-6-13(7-9-18)15-16-14-5-4-12(3)10-19(14)17-15;3-2(4,5)1(6)7/h4-5,10-11,13H,6-9H2,1-3H3;(H,6,7)
InChIKeyBCYUPMAQTGFVGJ-UHFFFAOYSA-N
XLogP3.26
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid
CID 118744262
6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 118744645
2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117128935
2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 118746239
N,N-dimethyl-4-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171672567
2-(1-ethylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155830086
6-methyl-2-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128942
N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid
CID 118744647
2-(1-ethylpyrrolidin-3-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117128859
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828673
2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117129022
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847216

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 155853436) is 6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is Cc1ccc2nc(C3CCN(C(C)C)CC3)nn2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is BCYUPMAQTGFVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.C2HF3O2/c1-11(2)18-8-6-13(7-9-18)15-16-14-5-4-12(3)10-19(14)17-15;3-2(4,5)1(6)7/h4-5,10-11,13H,6-9H2,1-3H3;(H,6,7).
What are the key properties of 6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 372.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155853436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).