2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol

C12H13F3N4O — CID 66269771

IUPAC2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)9-2-1-3-10(6-9)16-7-11-8-19(4-5-20)18-17-11/h1-3,6,8,16,20H,4-5,7H2
InChIKeyIOTPLCNOYRIPKE-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.90
Rot. Bonds5

About 2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol

2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol (PubChem CID 66269771) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
PubChem CID66269771
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)9-2-1-3-10(6-9)16-7-11-8-19(4-5-20)18-17-11/h1-3,6,8,16,20H,4-5,7H2
InChIKeyIOTPLCNOYRIPKE-UHFFFAOYSA-N
XLogP1.90
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
2-[4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269599
3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270046
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66269403
2-[4-[2-[3-(trifluoromethyl)anilino]phenyl]triazol-1-yl]ethanol
CID 135372869
2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol
CID 66269059
N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66269230
2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol
CID 66268122
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
CID 107701075
2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66268282
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]isoindole-1,3-dione
CID 66270351

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol (CID 66269771) is 2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol is OCCn1cc(CNc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of 2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol?
The InChIKey is IOTPLCNOYRIPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c13-12(14,15)9-2-1-3-10(6-9)16-7-11-8-19(4-5-20)18-17-11/h1-3,6,8,16,20H,4-5,7H2.
What are the key properties of 2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol?
2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol has a molecular weight of 286.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).