(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol

C10H11N3O — CID 51669163

IUPAC(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
SMILESO[C@@H](Cn1cncn1)c1ccccc1
InChIInChI=1S/C10H11N3O/c14-10(6-13-8-11-7-12-13)9-4-2-1-3-5-9/h1-5,7-8,10,14H,6H2/t10-/m0/s1
InChIKeyOUDWJLTZCWFWJV-JTQLQIEISA-N
MW189.22 g/mol
LogP1.01
Rot. Bonds3

About (1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol

(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 51669163) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID51669163
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
SMILESO[C@@H](Cn1cncn1)c1ccccc1
InChIInChI=1S/C10H11N3O/c14-10(6-13-8-11-7-12-13)9-4-2-1-3-5-9/h1-5,7-8,10,14H,6H2/t10-/m0/s1
InChIKeyOUDWJLTZCWFWJV-JTQLQIEISA-N
XLogP1.01
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3-(1,2,4-triazol-1-yl)propanoic acid
CID 63073894
2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one
CID 174783039
1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19849797
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
(1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95333284
1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol
CID 130979898
4-hydroxy-3-phenyl-1-(1,2,4-triazol-1-yl)butan-2-one
CID 10977307
1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol
CID 20525182
1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 4913132
1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol
CID 130871558
(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 99855935
[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl] 2-phenylacetate;hydrochloride
CID 134693458

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of (1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol (CID 51669163) is (1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for (1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for (1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol is O[C@@H](Cn1cncn1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is OUDWJLTZCWFWJV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11N3O/c14-10(6-13-8-11-7-12-13)9-4-2-1-3-5-9/h1-5,7-8,10,14H,6H2/t10-/m0/s1.
What are the key properties of (1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol?
(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 189.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 51669163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).