5-methyl-1,2,5,6-tetrahydroquinoxaline

C9H12N2 — CID 129275730

IUPAC5-methyl-1,2,5,6-tetrahydroquinoxaline
SMILESCC1CC=CC2=C1N=CCN2
InChIInChI=1S/C9H12N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h2,4,6-7,10H,3,5H2,1H3
InChIKeyAGPADMYYFJZPJV-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.47
Rot. Bonds

About 5-methyl-1,2,5,6-tetrahydroquinoxaline

5-methyl-1,2,5,6-tetrahydroquinoxaline (PubChem CID 129275730) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-methyl-1,2,5,6-tetrahydroquinoxaline.

Molecular Properties

Compound Name5-methyl-1,2,5,6-tetrahydroquinoxaline
PubChem CID129275730
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-methyl-1,2,5,6-tetrahydroquinoxaline
SMILESCC1CC=CC2=C1N=CCN2
InChIInChI=1S/C9H12N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h2,4,6-7,10H,3,5H2,1H3
InChIKeyAGPADMYYFJZPJV-UHFFFAOYSA-N
XLogP1.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,5,6-tetrahydroquinoxaline?
The IUPAC name of 5-methyl-1,2,5,6-tetrahydroquinoxaline (CID 129275730) is 5-methyl-1,2,5,6-tetrahydroquinoxaline.
What is the SMILES notation for 5-methyl-1,2,5,6-tetrahydroquinoxaline?
The canonical SMILES for 5-methyl-1,2,5,6-tetrahydroquinoxaline is CC1CC=CC2=C1N=CCN2.
What is the InChIKey of 5-methyl-1,2,5,6-tetrahydroquinoxaline?
The InChIKey is AGPADMYYFJZPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h2,4,6-7,10H,3,5H2,1H3.
What are the key properties of 5-methyl-1,2,5,6-tetrahydroquinoxaline?
5-methyl-1,2,5,6-tetrahydroquinoxaline has a molecular weight of 148.21 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,5,6-tetrahydroquinoxaline is sourced from PubChem (CID 129275730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).