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

C22H25F3N4O2 — CID 118744637

IUPAC6-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCCCN1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H24N4.C2HF3O2/c1-2-12-23-13-10-17(11-14-23)20-21-19-9-8-18(15-24(19)22-20)16-6-4-3-5-7-16;3-2(4,5)1(6)7/h3-9,15,17H,2,10-14H2,1H3;(H,6,7)
InChIKeyVOBLBHDPOQLWMV-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.62
Rot. Bonds4

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

6-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118744637) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 6-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID118744637
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC Name6-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCCCN1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H24N4.C2HF3O2/c1-2-12-23-13-10-17(11-14-23)20-21-19-9-8-18(15-24(19)22-20)16-6-4-3-5-7-16;3-2(4,5)1(6)7/h3-9,15,17H,2,10-14H2,1H3;(H,6,7)
InChIKeyVOBLBHDPOQLWMV-UHFFFAOYSA-N
XLogP4.62
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 118744637) is 6-phenyl-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-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is CCCN1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is VOBLBHDPOQLWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4.C2HF3O2/c1-2-12-23-13-10-17(11-14-23)20-21-19-9-8-18(15-24(19)22-20)16-6-4-3-5-7-16;3-2(4,5)1(6)7/h3-9,15,17H,2,10-14H2,1H3;(H,6,7).
What are the key properties of 6-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
6-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 434.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).