2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol

C13H17N3O2 — CID 146169576

IUPAC2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(C(CO)c2ccccc2)nn1
InChIInChI=1S/C13H17N3O2/c1-13(2,18)12-8-16(15-14-12)11(9-17)10-6-4-3-5-7-10/h3-8,11,17-18H,9H2,1-2H3
InChIKeyVZDIPUGYGJUNTK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.09
Rot. Bonds4

About 2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol

2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol (PubChem CID 146169576) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol
PubChem CID146169576
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(C(CO)c2ccccc2)nn1
InChIInChI=1S/C13H17N3O2/c1-13(2,18)12-8-16(15-14-12)11(9-17)10-6-4-3-5-7-10/h3-8,11,17-18H,9H2,1-2H3
InChIKeyVZDIPUGYGJUNTK-UHFFFAOYSA-N
XLogP1.09
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
(1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 53474093
1-(1-benzyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 71671583
1-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176207
1-(1-Benzyltriazol-4-yl)cyclohexan-1-ol
CID 651657
1-((3-Fluorophenyl)methyl)-1H-1,2,3-triazole-4-methanol
CID 24213791
1-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 75176209
(2R,4R,5R)-5-(4-cyclopropyltriazol-1-yl)-1-hexyl-2-(4-methylphenyl)piperidin-4-ol
CID 46902609
(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-1-hexyl-2-phenylpiperidin-4-ol
CID 46902703
(2R,4S,5S)-1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-phenylpiperidin-4-ol
CID 46902706
(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-1-hexyl-2-(4-methylphenyl)piperidin-4-ol
CID 46902712
[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474092

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol (CID 146169576) is 2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol is CC(C)(O)c1cn(C(CO)c2ccccc2)nn1.
What is the InChIKey of 2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol?
The InChIKey is VZDIPUGYGJUNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,18)12-8-16(15-14-12)11(9-17)10-6-4-3-5-7-10/h3-8,11,17-18H,9H2,1-2H3.
What are the key properties of 2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol?
2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-1-phenylethyl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 146169576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).