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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Related Compounds

2-[1-[[(2R,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]methyl]triazol-4-yl]pyridine
CID 23731407
4-[(3-Methylquinoxalin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559154
2-[(4-Methylpyrazol-1-yl)methyl]-4-[(3-methylquinoxalin-2-yl)methyl]morpholine
CID 53565862
4-[(5-Pyridin-3-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methyl]morpholine
CID 97519701
1-(1-phenyl-1H-1,2,3-triazol-4-yl)-N-(2-pyridinylmethyl)-N-(tetrahydro-2-furanylmethyl)methanamine
CID 56913905
3-Fluoro-5-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]pyridine
CID 139019689
7-fluoro-N-[[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]methyl]quinolin-4-amine
CID 145875847
2-[1-[[5-[(4-Pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]methyl]triazol-4-yl]pyridine
CID 73758427
4-[3-(4-Quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine
CID 141221781
2-(Triazol-2-ylmethyl)quinoxaline
CID 153943614
1-Methylbenzotriazole;4-methylmorpholine;1-methylpyrrole
CID 165035396
4-[5-(Benzotriazol-1-yl)-3-pyridinyl]morpholine
CID 167055953

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).