[5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol

C15H11F3N4O — CID 56769333

IUPAC[5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2C(F)(F)F)c1-c1ccncc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)11-3-1-2-4-13(11)22-14(12(9-23)20-21-22)10-5-7-19-8-6-10/h1-8,23H,9H2
InChIKeyFXSYXKPSEQLOLR-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.84
Rot. Bonds3

About [5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol

[5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 56769333) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is [5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID56769333
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name[5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2C(F)(F)F)c1-c1ccncc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)11-3-1-2-4-13(11)22-14(12(9-23)20-21-22)10-5-7-19-8-6-10/h1-8,23H,9H2
InChIKeyFXSYXKPSEQLOLR-UHFFFAOYSA-N
XLogP2.84
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol 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 [5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 56769333) is [5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol is OCc1nnn(-c2ccccc2C(F)(F)F)c1-c1ccncc1.
What is the InChIKey of [5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is FXSYXKPSEQLOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)11-3-1-2-4-13(11)22-14(12(9-23)20-21-22)10-5-7-19-8-6-10/h1-8,23H,9H2.
What are the key properties of [5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 320.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 56769333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).