1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

C19H17F3N4O2 — CID 71791920

IUPAC1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cn(CC(O)c2ccccc2)nn1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)15-8-4-5-13(9-15)10-23-18(28)16-11-26(25-24-16)12-17(27)14-6-2-1-3-7-14/h1-9,11,17,27H,10,12H2,(H,23,28)
InChIKeyUMOWLFTUUASUNB-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.96
Rot. Bonds6

About 1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 71791920) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID71791920
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cn(CC(O)c2ccccc2)nn1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)15-8-4-5-13(9-15)10-23-18(28)16-11-26(25-24-16)12-17(27)14-6-2-1-3-7-14/h1-9,11,17,27H,10,12H2,(H,23,28)
InChIKeyUMOWLFTUUASUNB-UHFFFAOYSA-N
XLogP2.96
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (CID 71791920) is 1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cn(CC(O)c2ccccc2)nn1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is UMOWLFTUUASUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)15-8-4-5-13(9-15)10-23-18(28)16-11-26(25-24-16)12-17(27)14-6-2-1-3-7-14/h1-9,11,17,27H,10,12H2,(H,23,28).
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 71791920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).