2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine

C20H20F3N5 — CID 67359551

IUPAC2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)CN1CCC(c2nc(-c3ccc(-c4ccccc4)nc3)n[nH]2)CC1
InChIInChI=1S/C20H20F3N5/c21-20(22,23)13-28-10-8-15(9-11-28)18-25-19(27-26-18)16-6-7-17(24-12-16)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,25,26,27)
InChIKeyXQYUFRPPMUUMBZ-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.28
Rot. Bonds4

About 2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine

2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 67359551) has the molecular formula C20H20F3N5 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID67359551
Molecular FormulaC20H20F3N5
Molecular Weight387.41 g/mol
Exact Mass387.17
IUPAC Name2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)CN1CCC(c2nc(-c3ccc(-c4ccccc4)nc3)n[nH]2)CC1
InChIInChI=1S/C20H20F3N5/c21-20(22,23)13-28-10-8-15(9-11-28)18-25-19(27-26-18)16-6-7-17(24-12-16)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,25,26,27)
InChIKeyXQYUFRPPMUUMBZ-UHFFFAOYSA-N
XLogP4.28
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine (CID 67359551) is 2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine is FC(F)(F)CN1CCC(c2nc(-c3ccc(-c4ccccc4)nc3)n[nH]2)CC1.
What is the InChIKey of 2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is XQYUFRPPMUUMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5/c21-20(22,23)13-28-10-8-15(9-11-28)18-25-19(27-26-18)16-6-7-17(24-12-16)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,25,26,27).
What are the key properties of 2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine?
2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 387.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 67359551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).