[5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol

C16H12F3N3O — CID 56769273

IUPAC[5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(C(F)(F)F)c2)c1-c1ccccc1
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)12-7-4-8-13(9-12)22-15(14(10-23)20-21-22)11-5-2-1-3-6-11/h1-9,23H,10H2
InChIKeyGHGRQHAXUVJGJM-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.45
Rot. Bonds3

About [5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol

[5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 56769273) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is [5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID56769273
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name[5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(C(F)(F)F)c2)c1-c1ccccc1
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)12-7-4-8-13(9-12)22-15(14(10-23)20-21-22)11-5-2-1-3-6-11/h1-9,23H,10H2
InChIKeyGHGRQHAXUVJGJM-UHFFFAOYSA-N
XLogP3.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 56769273) is [5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol is OCc1nnn(-c2cccc(C(F)(F)F)c2)c1-c1ccccc1.
What is the InChIKey of [5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is GHGRQHAXUVJGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c17-16(18,19)12-7-4-8-13(9-12)22-15(14(10-23)20-21-22)11-5-2-1-3-6-11/h1-9,23H,10H2.
What are the key properties of [5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 319.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-phenyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 56769273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).