2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol

C14H15N5O2 — CID 167866845

IUPAC2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol
SMILESOCCOCCn1cc(-c2cnc3ccccc3n2)nn1
InChIInChI=1S/C14H15N5O2/c20-6-8-21-7-5-19-10-14(17-18-19)13-9-15-11-3-1-2-4-12(11)16-13/h1-4,9-10,20H,5-8H2
InChIKeyXZPYHILOCVDULK-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.90
Rot. Bonds6

About 2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol

2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol (PubChem CID 167866845) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol
PubChem CID167866845
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol
SMILESOCCOCCn1cc(-c2cnc3ccccc3n2)nn1
InChIInChI=1S/C14H15N5O2/c20-6-8-21-7-5-19-10-14(17-18-19)13-9-15-11-3-1-2-4-12(11)16-13/h1-4,9-10,20H,5-8H2
InChIKeyXZPYHILOCVDULK-UHFFFAOYSA-N
XLogP0.90
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol (CID 167866845) is 2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol is OCCOCCn1cc(-c2cnc3ccccc3n2)nn1.
What is the InChIKey of 2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol?
The InChIKey is XZPYHILOCVDULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-6-8-21-7-5-19-10-14(17-18-19)13-9-15-11-3-1-2-4-12(11)16-13/h1-4,9-10,20H,5-8H2.
What are the key properties of 2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol?
2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol has a molecular weight of 285.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-quinoxalin-2-yltriazol-1-yl)ethoxy]ethanol is sourced from PubChem (CID 167866845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).