3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine

C22H18F3N5 — CID 67265099

IUPAC3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine
SMILESFC(F)(F)c1ccccc1Cn1cc(CC(c2cccnc2)c2cccnc2)nn1
InChIInChI=1S/C22H18F3N5/c23-22(24,25)21-8-2-1-5-18(21)14-30-15-19(28-29-30)11-20(16-6-3-9-26-12-16)17-7-4-10-27-13-17/h1-10,12-13,15,20H,11,14H2
InChIKeyHZHCBMSQMVUGNI-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.51
Rot. Bonds6

About 3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine

3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine (PubChem CID 67265099) has the molecular formula C22H18F3N5 and a molecular weight of 409.42 g/mol. Its IUPAC name is 3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine.

Molecular Properties

Compound Name3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine
PubChem CID67265099
Molecular FormulaC22H18F3N5
Molecular Weight409.42 g/mol
Exact Mass409.15
IUPAC Name3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine
SMILESFC(F)(F)c1ccccc1Cn1cc(CC(c2cccnc2)c2cccnc2)nn1
InChIInChI=1S/C22H18F3N5/c23-22(24,25)21-8-2-1-5-18(21)14-30-15-19(28-29-30)11-20(16-6-3-9-26-12-16)17-7-4-10-27-13-17/h1-10,12-13,15,20H,11,14H2
InChIKeyHZHCBMSQMVUGNI-UHFFFAOYSA-N
XLogP4.51
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine?
The IUPAC name of 3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine (CID 67265099) is 3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine.
What is the SMILES notation for 3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine?
The canonical SMILES for 3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine is FC(F)(F)c1ccccc1Cn1cc(CC(c2cccnc2)c2cccnc2)nn1.
What is the InChIKey of 3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine?
The InChIKey is HZHCBMSQMVUGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5/c23-22(24,25)21-8-2-1-5-18(21)14-30-15-19(28-29-30)11-20(16-6-3-9-26-12-16)17-7-4-10-27-13-17/h1-10,12-13,15,20H,11,14H2.
What are the key properties of 3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine?
3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine has a molecular weight of 409.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-pyridin-3-yl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethyl]pyridine is sourced from PubChem (CID 67265099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).