4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline

C11H8Cl2N4 — CID 88721662

IUPAC4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCc1cc(Cl)cc2c1nc(Cl)c1nncn12
InChIInChI=1S/C11H8Cl2N4/c1-2-6-3-7(12)4-8-9(6)15-10(13)11-16-14-5-17(8)11/h3-5H,2H2,1H3
InChIKeyWSBVAQRINQVVNX-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.15
Rot. Bonds1

About 4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline

4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 88721662) has the molecular formula C11H8Cl2N4 and a molecular weight of 267.12 g/mol. Its IUPAC name is 4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID88721662
Molecular FormulaC11H8Cl2N4
Molecular Weight267.12 g/mol
Exact Mass266.01
IUPAC Name4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCc1cc(Cl)cc2c1nc(Cl)c1nncn12
InChIInChI=1S/C11H8Cl2N4/c1-2-6-3-7(12)4-8-9(6)15-10(13)11-16-14-5-17(8)11/h3-5H,2H2,1H3
InChIKeyWSBVAQRINQVVNX-UHFFFAOYSA-N
XLogP3.15
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 88721662) is 4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline is CCc1cc(Cl)cc2c1nc(Cl)c1nncn12.
What is the InChIKey of 4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is WSBVAQRINQVVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4/c1-2-6-3-7(12)4-8-9(6)15-10(13)11-16-14-5-17(8)11/h3-5H,2H2,1H3.
What are the key properties of 4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 267.12 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-6-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 88721662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).