2-(3-benzyl-5-ethyltriazol-4-yl)ethanol

C13H17N3O — CID 127052472

IUPAC2-(3-benzyl-5-ethyltriazol-4-yl)ethanol
SMILESCCc1nnn(Cc2ccccc2)c1CCO
InChIInChI=1S/C13H17N3O/c1-2-12-13(8-9-17)16(15-14-12)10-11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3
InChIKeyPLRXRHUPYNCOJH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.42
Rot. Bonds5

About 2-(3-benzyl-5-ethyltriazol-4-yl)ethanol

2-(3-benzyl-5-ethyltriazol-4-yl)ethanol (PubChem CID 127052472) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(3-benzyl-5-ethyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-benzyl-5-ethyltriazol-4-yl)ethanol
PubChem CID127052472
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(3-benzyl-5-ethyltriazol-4-yl)ethanol
SMILESCCc1nnn(Cc2ccccc2)c1CCO
InChIInChI=1S/C13H17N3O/c1-2-12-13(8-9-17)16(15-14-12)10-11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3
InChIKeyPLRXRHUPYNCOJH-UHFFFAOYSA-N
XLogP1.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-5-propyltriazol-4-yl)methanamine
CID 82203130
1-benzyl-4-ethyl-5-phenyltriazole
CID 123573557
2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol
CID 127051530
(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
[1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol
CID 82204190
1-(1-benzyl-3,5-diethylpyrazol-4-yl)ethanone
CID 82697978
2-benzyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136999526
1-benzyl-3,5-diethylpyrazol-4-amine
CID 82702837
1-benzyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-5-ethyltriazole-4-carboxamide
CID 166238288
1-benzyl-4-butyl-5-(2-methylphenyl)triazole
CID 102474944
[1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol
CID 82203119
1-benzyl-4-butyl-5-(2-phenylethynyl)triazole
CID 177454367

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-5-ethyltriazol-4-yl)ethanol?
The IUPAC name of 2-(3-benzyl-5-ethyltriazol-4-yl)ethanol (CID 127052472) is 2-(3-benzyl-5-ethyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-benzyl-5-ethyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(3-benzyl-5-ethyltriazol-4-yl)ethanol is CCc1nnn(Cc2ccccc2)c1CCO.
What is the InChIKey of 2-(3-benzyl-5-ethyltriazol-4-yl)ethanol?
The InChIKey is PLRXRHUPYNCOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-12-13(8-9-17)16(15-14-12)10-11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3.
What are the key properties of 2-(3-benzyl-5-ethyltriazol-4-yl)ethanol?
2-(3-benzyl-5-ethyltriazol-4-yl)ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-5-ethyltriazol-4-yl)ethanol is sourced from PubChem (CID 127052472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).