2-(1-benzyl-5-ethyltriazol-4-yl)ethanol

C13H17N3O — CID 127051529

IUPAC2-(1-benzyl-5-ethyltriazol-4-yl)ethanol
SMILESCCc1c(CCO)nnn1Cc1ccccc1
InChIInChI=1S/C13H17N3O/c1-2-13-12(8-9-17)14-15-16(13)10-11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3
InChIKeyCDYZUTONGXIFOE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.42
Rot. Bonds5

About 2-(1-benzyl-5-ethyltriazol-4-yl)ethanol

2-(1-benzyl-5-ethyltriazol-4-yl)ethanol (PubChem CID 127051529) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(1-benzyl-5-ethyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzyl-5-ethyltriazol-4-yl)ethanol
PubChem CID127051529
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(1-benzyl-5-ethyltriazol-4-yl)ethanol
SMILESCCc1c(CCO)nnn1Cc1ccccc1
InChIInChI=1S/C13H17N3O/c1-2-13-12(8-9-17)14-15-16(13)10-11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3
InChIKeyCDYZUTONGXIFOE-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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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-ethyltriazol-4-yl)ethanol?
The IUPAC name of 2-(1-benzyl-5-ethyltriazol-4-yl)ethanol (CID 127051529) is 2-(1-benzyl-5-ethyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-benzyl-5-ethyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(1-benzyl-5-ethyltriazol-4-yl)ethanol is CCc1c(CCO)nnn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-ethyltriazol-4-yl)ethanol?
The InChIKey is CDYZUTONGXIFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-13-12(8-9-17)14-15-16(13)10-11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3.
What are the key properties of 2-(1-benzyl-5-ethyltriazol-4-yl)ethanol?
2-(1-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-(1-benzyl-5-ethyltriazol-4-yl)ethanol is sourced from PubChem (CID 127051529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).