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

C6H11N3O — CID 66634570

IUPAC2-(4-ethyltriazol-1-yl)ethanol
SMILESCCc1cn(CCO)nn1
InChIInChI=1S/C6H11N3O/c1-2-6-5-9(3-4-10)8-7-6/h5,10H,2-4H2,1H3
InChIKeyBMUHMPXOOYMXBI-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.17
Rot. Bonds3

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

2-(4-ethyltriazol-1-yl)ethanol (PubChem CID 66634570) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(4-ethyltriazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-ethyltriazol-1-yl)ethanol
PubChem CID66634570
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(4-ethyltriazol-1-yl)ethanol
SMILESCCc1cn(CCO)nn1
InChIInChI=1S/C6H11N3O/c1-2-6-5-9(3-4-10)8-7-6/h5,10H,2-4H2,1H3
InChIKeyBMUHMPXOOYMXBI-UHFFFAOYSA-N
XLogP-0.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyltriazol-1-yl)ethanol?
The IUPAC name of 2-(4-ethyltriazol-1-yl)ethanol (CID 66634570) is 2-(4-ethyltriazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-ethyltriazol-1-yl)ethanol?
The canonical SMILES for 2-(4-ethyltriazol-1-yl)ethanol is CCc1cn(CCO)nn1.
What is the InChIKey of 2-(4-ethyltriazol-1-yl)ethanol?
The InChIKey is BMUHMPXOOYMXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-6-5-9(3-4-10)8-7-6/h5,10H,2-4H2,1H3.
What are the key properties of 2-(4-ethyltriazol-1-yl)ethanol?
2-(4-ethyltriazol-1-yl)ethanol has a molecular weight of 141.17 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyltriazol-1-yl)ethanol is sourced from PubChem (CID 66634570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).