2,3,6-trimethylquinoxalin-5-amine

C11H13N3 — CID 718860

IUPAC2,3,6-trimethylquinoxalin-5-amine
SMILESCc1ccc2nc(C)c(C)nc2c1N
InChIInChI=1S/C11H13N3/c1-6-4-5-9-11(10(6)12)14-8(3)7(2)13-9/h4-5H,12H2,1-3H3
InChIKeyOGTWTLPLALIUQZ-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.14
Rot. Bonds

About 2,3,6-trimethylquinoxalin-5-amine

2,3,6-trimethylquinoxalin-5-amine (PubChem CID 718860) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2,3,6-trimethylquinoxalin-5-amine.

Molecular Properties

Compound Name2,3,6-trimethylquinoxalin-5-amine
PubChem CID718860
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2,3,6-trimethylquinoxalin-5-amine
SMILESCc1ccc2nc(C)c(C)nc2c1N
InChIInChI=1S/C11H13N3/c1-6-4-5-9-11(10(6)12)14-8(3)7(2)13-9/h4-5H,12H2,1-3H3
InChIKeyOGTWTLPLALIUQZ-UHFFFAOYSA-N
XLogP2.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylquinoxalin-5-amine?
The IUPAC name of 2,3,6-trimethylquinoxalin-5-amine (CID 718860) is 2,3,6-trimethylquinoxalin-5-amine.
What is the SMILES notation for 2,3,6-trimethylquinoxalin-5-amine?
The canonical SMILES for 2,3,6-trimethylquinoxalin-5-amine is Cc1ccc2nc(C)c(C)nc2c1N.
What is the InChIKey of 2,3,6-trimethylquinoxalin-5-amine?
The InChIKey is OGTWTLPLALIUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-6-4-5-9-11(10(6)12)14-8(3)7(2)13-9/h4-5H,12H2,1-3H3.
What are the key properties of 2,3,6-trimethylquinoxalin-5-amine?
2,3,6-trimethylquinoxalin-5-amine has a molecular weight of 187.25 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylquinoxalin-5-amine is sourced from PubChem (CID 718860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).