8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

C13H7ClN4O2 — CID 10108084

IUPAC8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccco3)nc12
InChIInChI=1S/C13H7ClN4O2/c14-7-3-4-8-9(6-7)18-12(13(19)15-8)16-11(17-18)10-2-1-5-20-10/h1-6H,(H,15,19)
InChIKeyRBJMHOHGXKHALS-UHFFFAOYSA-N
MW286.68 g/mol
LogP2.48
Rot. Bonds1

About 8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (PubChem CID 10108084) has the molecular formula C13H7ClN4O2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
PubChem CID10108084
Molecular FormulaC13H7ClN4O2
Molecular Weight286.68 g/mol
Exact Mass286.03
IUPAC Name8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccco3)nc12
InChIInChI=1S/C13H7ClN4O2/c14-7-3-4-8-9(6-7)18-12(13(19)15-8)16-11(17-18)10-2-1-5-20-10/h1-6H,(H,15,19)
InChIKeyRBJMHOHGXKHALS-UHFFFAOYSA-N
XLogP2.48
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (CID 10108084) is 8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccco3)nc12.
What is the InChIKey of 8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The InChIKey is RBJMHOHGXKHALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4O2/c14-7-3-4-8-9(6-7)18-12(13(19)15-8)16-11(17-18)10-2-1-5-20-10/h1-6H,(H,15,19).
What are the key properties of 8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one has a molecular weight of 286.68 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(furan-2-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10108084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).