2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline

C16H17N5O2 — CID 154782029

IUPAC2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline
SMILESc1ccc2nc(-c3cn(CCOC4CCOC4)nn3)cnc2c1
InChIInChI=1S/C16H17N5O2/c1-2-4-14-13(3-1)17-9-15(18-14)16-10-21(20-19-16)6-8-23-12-5-7-22-11-12/h1-4,9-10,12H,5-8,11H2
InChIKeyJDDRHSYXLOMPDH-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.69
Rot. Bonds5

About 2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline

2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline (PubChem CID 154782029) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline.

Molecular Properties

Compound Name2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline
PubChem CID154782029
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline
SMILESc1ccc2nc(-c3cn(CCOC4CCOC4)nn3)cnc2c1
InChIInChI=1S/C16H17N5O2/c1-2-4-14-13(3-1)17-9-15(18-14)16-10-21(20-19-16)6-8-23-12-5-7-22-11-12/h1-4,9-10,12H,5-8,11H2
InChIKeyJDDRHSYXLOMPDH-UHFFFAOYSA-N
XLogP1.69
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline?
The IUPAC name of 2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline (CID 154782029) is 2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline.
What is the SMILES notation for 2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline?
The canonical SMILES for 2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline is c1ccc2nc(-c3cn(CCOC4CCOC4)nn3)cnc2c1.
What is the InChIKey of 2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline?
The InChIKey is JDDRHSYXLOMPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-2-4-14-13(3-1)17-9-15(18-14)16-10-21(20-19-16)6-8-23-12-5-7-22-11-12/h1-4,9-10,12H,5-8,11H2.
What are the key properties of 2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline?
2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline has a molecular weight of 311.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline is sourced from PubChem (CID 154782029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).