5,6,7-trimethylquinoxaline

C11H12N2 — CID 58813879

IUPAC5,6,7-trimethylquinoxaline
SMILESCc1cc2nccnc2c(C)c1C
InChIInChI=1S/C11H12N2/c1-7-6-10-11(9(3)8(7)2)13-5-4-12-10/h4-6H,1-3H3
InChIKeyUPJXFWIURWHWFD-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.56
Rot. Bonds

About 5,6,7-trimethylquinoxaline

5,6,7-trimethylquinoxaline (PubChem CID 58813879) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5,6,7-trimethylquinoxaline.

Molecular Properties

Compound Name5,6,7-trimethylquinoxaline
PubChem CID58813879
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name5,6,7-trimethylquinoxaline
SMILESCc1cc2nccnc2c(C)c1C
InChIInChI=1S/C11H12N2/c1-7-6-10-11(9(3)8(7)2)13-5-4-12-10/h4-6H,1-3H3
InChIKeyUPJXFWIURWHWFD-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethylquinoxaline?
The IUPAC name of 5,6,7-trimethylquinoxaline (CID 58813879) is 5,6,7-trimethylquinoxaline.
What is the SMILES notation for 5,6,7-trimethylquinoxaline?
The canonical SMILES for 5,6,7-trimethylquinoxaline is Cc1cc2nccnc2c(C)c1C.
What is the InChIKey of 5,6,7-trimethylquinoxaline?
The InChIKey is UPJXFWIURWHWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-7-6-10-11(9(3)8(7)2)13-5-4-12-10/h4-6H,1-3H3.
What are the key properties of 5,6,7-trimethylquinoxaline?
5,6,7-trimethylquinoxaline has a molecular weight of 172.23 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethylquinoxaline is sourced from PubChem (CID 58813879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).