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

C18H15F3N4O2 — CID 71791904

IUPAC1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cn(CC(O)c2ccccc2)nn1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)13-6-8-14(9-7-13)22-17(27)15-10-25(24-23-15)11-16(26)12-4-2-1-3-5-12/h1-10,16,26H,11H2,(H,22,27)
InChIKeyBIONAKIYQSHTLQ-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.28
Rot. Bonds5

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

1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 71791904) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID71791904
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cn(CC(O)c2ccccc2)nn1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)13-6-8-14(9-7-13)22-17(27)15-10-25(24-23-15)11-16(26)12-4-2-1-3-5-12/h1-10,16,26H,11H2,(H,22,27)
InChIKeyBIONAKIYQSHTLQ-UHFFFAOYSA-N
XLogP3.28
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.28
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-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 71791904) is 1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cn(CC(O)c2ccccc2)nn1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is BIONAKIYQSHTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)13-6-8-14(9-7-13)22-17(27)15-10-25(24-23-15)11-16(26)12-4-2-1-3-5-12/h1-10,16,26H,11H2,(H,22,27).
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide?
1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.28, 5 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-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 71791904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).