3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione

C11H14N4O2 — CID 114475935

IUPAC3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCc1ncc(NC2CC(=O)N(C)C2=O)nc1C
InChIInChI=1S/C11H14N4O2/c1-6-7(2)13-9(5-12-6)14-8-4-10(16)15(3)11(8)17/h5,8H,4H2,1-3H3,(H,13,14)
InChIKeyQTJVILFBLPUCNP-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.26
Rot. Bonds2

About 3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione

3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 114475935) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID114475935
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCc1ncc(NC2CC(=O)N(C)C2=O)nc1C
InChIInChI=1S/C11H14N4O2/c1-6-7(2)13-9(5-12-6)14-8-4-10(16)15(3)11(8)17/h5,8H,4H2,1-3H3,(H,13,14)
InChIKeyQTJVILFBLPUCNP-UHFFFAOYSA-N
XLogP0.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione (CID 114475935) is 3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione is Cc1ncc(NC2CC(=O)N(C)C2=O)nc1C.
What is the InChIKey of 3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is QTJVILFBLPUCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6-7(2)13-9(5-12-6)14-8-4-10(16)15(3)11(8)17/h5,8H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 234.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 114475935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).