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

C11H10F3N3O2 — CID 715064

IUPAC[5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(C(F)(F)F)c2)c1CO
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)7-2-1-3-8(4-7)17-10(6-19)9(5-18)15-16-17/h1-4,18-19H,5-6H2
InChIKeyLQZDITVHPBWIFA-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.27
Rot. Bonds3

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

[5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 715064) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID715064
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name[5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(C(F)(F)F)c2)c1CO
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)7-2-1-3-8(4-7)17-10(6-19)9(5-18)15-16-17/h1-4,18-19H,5-6H2
InChIKeyLQZDITVHPBWIFA-UHFFFAOYSA-N
XLogP1.27
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 715064) is [5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol is OCc1nnn(-c2cccc(C(F)(F)F)c2)c1CO.
What is the InChIKey of [5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is LQZDITVHPBWIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)7-2-1-3-8(4-7)17-10(6-19)9(5-18)15-16-17/h1-4,18-19H,5-6H2.
What are the key properties of [5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 273.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 715064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).