[1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol

C11H14N4O — CID 129494851

IUPAC[1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol
SMILESN[C@H](Cn1cc(CO)nn1)c1ccccc1
InChIInChI=1S/C11H14N4O/c12-11(9-4-2-1-3-5-9)7-15-6-10(8-16)13-14-15/h1-6,11,16H,7-8,12H2/t11-/m1/s1
InChIKeyKABXGXPCGSEDKL-LLVKDONJSA-N
MW218.26 g/mol
LogP0.47
Rot. Bonds4

About [1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol

[1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol (PubChem CID 129494851) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol
PubChem CID129494851
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol
SMILESN[C@H](Cn1cc(CO)nn1)c1ccccc1
InChIInChI=1S/C11H14N4O/c12-11(9-4-2-1-3-5-9)7-15-6-10(8-16)13-14-15/h1-6,11,16H,7-8,12H2/t11-/m1/s1
InChIKeyKABXGXPCGSEDKL-LLVKDONJSA-N
XLogP0.47
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.47
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-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol
CID 99737543
(1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 154769254
[1-(3-phenylpropyl)triazol-4-yl]methanol
CID 62401838
2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol
CID 122241163
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
(2S)-2-amino-2-phenylethanol;methanol
CID 160824062
[1-(quinolin-2-ylmethyl)triazol-4-yl]methanol
CID 56594560
[1-[(3-aminophenyl)methyl]triazol-4-yl]methanol
CID 67516075
1-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
CID 63771728
(1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol
CID 129373193
2-[4-[[[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]ethanol
CID 81351583

Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol (CID 129494851) is [1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol is N[C@H](Cn1cc(CO)nn1)c1ccccc1.
What is the InChIKey of [1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol?
The InChIKey is KABXGXPCGSEDKL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14N4O/c12-11(9-4-2-1-3-5-9)7-15-6-10(8-16)13-14-15/h1-6,11,16H,7-8,12H2/t11-/m1/s1.
What are the key properties of [1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol?
[1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol has a molecular weight of 218.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol is sourced from PubChem (CID 129494851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).