1-quinoxalin-2-ylethane-1,2-diimine

C10H8N4 — CID 166992824

IUPAC1-quinoxalin-2-ylethane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])c1cnc2ccccc2n1
InChIInChI=1S/C10H8N4/c11-5-7(12)10-6-13-8-3-1-2-4-9(8)14-10/h1-6,11-12H/b11-5+,12-7+
InChIKeyRTJINMMJVVZURG-ZVKMSOOESA-N
MW184.20 g/mol
LogP1.65
Rot. Bonds2

About 1-quinoxalin-2-ylethane-1,2-diimine

1-quinoxalin-2-ylethane-1,2-diimine (PubChem CID 166992824) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-quinoxalin-2-ylethane-1,2-diimine.

Molecular Properties

Compound Name1-quinoxalin-2-ylethane-1,2-diimine
PubChem CID166992824
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name1-quinoxalin-2-ylethane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])c1cnc2ccccc2n1
InChIInChI=1S/C10H8N4/c11-5-7(12)10-6-13-8-3-1-2-4-9(8)14-10/h1-6,11-12H/b11-5+,12-7+
InChIKeyRTJINMMJVVZURG-ZVKMSOOESA-N
XLogP1.65
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-2-ylethane-1,2-diimine?
The IUPAC name of 1-quinoxalin-2-ylethane-1,2-diimine (CID 166992824) is 1-quinoxalin-2-ylethane-1,2-diimine.
What is the SMILES notation for 1-quinoxalin-2-ylethane-1,2-diimine?
The canonical SMILES for 1-quinoxalin-2-ylethane-1,2-diimine is [H]/N=C(\C=N\[H])c1cnc2ccccc2n1.
What is the InChIKey of 1-quinoxalin-2-ylethane-1,2-diimine?
The InChIKey is RTJINMMJVVZURG-ZVKMSOOESA-N. The full InChI is InChI=1S/C10H8N4/c11-5-7(12)10-6-13-8-3-1-2-4-9(8)14-10/h1-6,11-12H/b11-5+,12-7+.
What are the key properties of 1-quinoxalin-2-ylethane-1,2-diimine?
1-quinoxalin-2-ylethane-1,2-diimine has a molecular weight of 184.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-2-ylethane-1,2-diimine is sourced from PubChem (CID 166992824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).