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

C17H23F3N4O2 — CID 118744645

IUPAC6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCCCN1CCC(c2nc3ccc(C)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4.C2HF3O2/c1-3-8-18-9-6-13(7-10-18)15-16-14-5-4-12(2)11-19(14)17-15;3-2(4,5)1(6)7/h4-5,11,13H,3,6-10H2,1-2H3;(H,6,7)
InChIKeyLVAVCCNSZIMEIJ-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.26
Rot. Bonds3

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

6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118744645) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID118744645
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCCCN1CCC(c2nc3ccc(C)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4.C2HF3O2/c1-3-8-18-9-6-13(7-10-18)15-16-14-5-4-12(2)11-19(14)17-15;3-2(4,5)1(6)7/h4-5,11,13H,3,6-10H2,1-2H3;(H,6,7)
InChIKeyLVAVCCNSZIMEIJ-UHFFFAOYSA-N
XLogP3.26
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 118744645) is 6-methyl-2-(1-propylpiperidin-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-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is CCCN1CCC(c2nc3ccc(C)cn3n2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is LVAVCCNSZIMEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.C2HF3O2/c1-3-8-18-9-6-13(7-10-18)15-16-14-5-4-12(2)11-19(14)17-15;3-2(4,5)1(6)7/h4-5,11,13H,3,6-10H2,1-2H3;(H,6,7).
What are the key properties of 6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
6-methyl-2-(1-propylpiperidin-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, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).