2,3,6-trimethyl-5-nitroquinoxaline

C11H11N3O2 — CID 15311791

IUPAC2,3,6-trimethyl-5-nitroquinoxaline
SMILESCc1ccc2nc(C)c(C)nc2c1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O2/c1-6-4-5-9-10(11(6)14(15)16)13-8(3)7(2)12-9/h4-5H,1-3H3
InChIKeyPHWXTGCXKLZXHW-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.46
Rot. Bonds1

About 2,3,6-trimethyl-5-nitroquinoxaline

2,3,6-trimethyl-5-nitroquinoxaline (PubChem CID 15311791) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2,3,6-trimethyl-5-nitroquinoxaline.

Molecular Properties

Compound Name2,3,6-trimethyl-5-nitroquinoxaline
PubChem CID15311791
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2,3,6-trimethyl-5-nitroquinoxaline
SMILESCc1ccc2nc(C)c(C)nc2c1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O2/c1-6-4-5-9-10(11(6)14(15)16)13-8(3)7(2)12-9/h4-5H,1-3H3
InChIKeyPHWXTGCXKLZXHW-UHFFFAOYSA-N
XLogP2.46
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-5-nitroquinoxaline?
The IUPAC name of 2,3,6-trimethyl-5-nitroquinoxaline (CID 15311791) is 2,3,6-trimethyl-5-nitroquinoxaline.
What is the SMILES notation for 2,3,6-trimethyl-5-nitroquinoxaline?
The canonical SMILES for 2,3,6-trimethyl-5-nitroquinoxaline is Cc1ccc2nc(C)c(C)nc2c1[N+](=O)[O-].
What is the InChIKey of 2,3,6-trimethyl-5-nitroquinoxaline?
The InChIKey is PHWXTGCXKLZXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-6-4-5-9-10(11(6)14(15)16)13-8(3)7(2)12-9/h4-5H,1-3H3.
What are the key properties of 2,3,6-trimethyl-5-nitroquinoxaline?
2,3,6-trimethyl-5-nitroquinoxaline has a molecular weight of 217.23 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-5-nitroquinoxaline is sourced from PubChem (CID 15311791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).