4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline

C11H8ClFN4 — CID 88685985

IUPAC4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCc1c(F)ccc2c1nc(Cl)c1nncn12
InChIInChI=1S/C11H8ClFN4/c1-2-6-7(13)3-4-8-9(6)15-10(12)11-16-14-5-17(8)11/h3-5H,2H2,1H3
InChIKeyMXOAJQGGCZCREA-UHFFFAOYSA-N
MW250.66 g/mol
LogP2.63
Rot. Bonds1

About 4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline

4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 88685985) has the molecular formula C11H8ClFN4 and a molecular weight of 250.66 g/mol. Its IUPAC name is 4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID88685985
Molecular FormulaC11H8ClFN4
Molecular Weight250.66 g/mol
Exact Mass250.04
IUPAC Name4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCc1c(F)ccc2c1nc(Cl)c1nncn12
InChIInChI=1S/C11H8ClFN4/c1-2-6-7(13)3-4-8-9(6)15-10(12)11-16-14-5-17(8)11/h3-5H,2H2,1H3
InChIKeyMXOAJQGGCZCREA-UHFFFAOYSA-N
XLogP2.63
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline (CID 88685985) is 4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline is CCc1c(F)ccc2c1nc(Cl)c1nncn12.
What is the InChIKey of 4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is MXOAJQGGCZCREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN4/c1-2-6-7(13)3-4-8-9(6)15-10(12)11-16-14-5-17(8)11/h3-5H,2H2,1H3.
What are the key properties of 4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline?
4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 250.66 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 88685985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).