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

C20H20F3N5 — CID 56672568

IUPAC2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N5/c1-14-25-26-19(28(14)17-7-5-16(6-8-17)20(21,22)23)15-9-12-27(13-10-15)18-4-2-3-11-24-18/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyBBIMUOMBAXOPSX-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.37
Rot. Bonds3

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

2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 56672568) has the molecular formula C20H20F3N5 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID56672568
Molecular FormulaC20H20F3N5
Molecular Weight387.41 g/mol
Exact Mass387.17
IUPAC Name2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N5/c1-14-25-26-19(28(14)17-7-5-16(6-8-17)20(21,22)23)15-9-12-27(13-10-15)18-4-2-3-11-24-18/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyBBIMUOMBAXOPSX-UHFFFAOYSA-N
XLogP4.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 56672568) is 2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is BBIMUOMBAXOPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5/c1-14-25-26-19(28(14)17-7-5-16(6-8-17)20(21,22)23)15-9-12-27(13-10-15)18-4-2-3-11-24-18/h2-8,11,15H,9-10,12-13H2,1H3.
What are the key properties of 2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 387.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 56672568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).