(1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol

C19H19F3N4O — CID 154769254

IUPAC(1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESNC(Cc1cn(C[C@@H](O)c2ccc(C(F)(F)F)cc2)nn1)c1ccccc1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)15-8-6-14(7-9-15)18(27)12-26-11-16(24-25-26)10-17(23)13-4-2-1-3-5-13/h1-9,11,17-18,27H,10,12,23H2/t17?,18-/m1/s1
InChIKeyNLWHQIDMLPGQHI-QRWMCTBCSA-N
MW376.38 g/mol
LogP3.27
Rot. Bonds6

About (1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol

(1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 154769254) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is (1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID154769254
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name(1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESNC(Cc1cn(C[C@@H](O)c2ccc(C(F)(F)F)cc2)nn1)c1ccccc1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)15-8-6-14(7-9-15)18(27)12-26-11-16(24-25-26)10-17(23)13-4-2-1-3-5-13/h1-9,11,17-18,27H,10,12,23H2/t17?,18-/m1/s1
InChIKeyNLWHQIDMLPGQHI-QRWMCTBCSA-N
XLogP3.27
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2R)-2-amino-2-phenylethyl]triazol-4-yl]methanol
CID 129494944
[1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol
CID 129494851
2,2,2-trifluoro-1-[1-(2-hydroxy-2-phenylethyl)triazol-4-yl]ethanone
CID 62581782
2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 110908038
2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol
CID 122241163
(1R)-1-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)ethanol
CID 134822246
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
1,8-bis[[1-(2-hydroxy-2-phenylethyl)triazol-4-yl]methoxy]anthracene-9,10-dione
CID 102295262
3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
CID 115817570
(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171261024
2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 2778952

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol (CID 154769254) is (1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol is NC(Cc1cn(C[C@@H](O)c2ccc(C(F)(F)F)cc2)nn1)c1ccccc1.
What is the InChIKey of (1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is NLWHQIDMLPGQHI-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H19F3N4O/c20-19(21,22)15-8-6-14(7-9-15)18(27)12-26-11-16(24-25-26)10-17(23)13-4-2-1-3-5-13/h1-9,11,17-18,27H,10,12,23H2/t17?,18-/m1/s1.
What are the key properties of (1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol?
(1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 376.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 154769254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).