6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione

C12H6ClN3O2 — CID 2825962

IUPAC6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESO=C1c2nccnc2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C12H6ClN3O2/c13-7-1-3-8(4-2-7)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H
InChIKeyGWFNTHAZJFYGEA-UHFFFAOYSA-N
MW259.65 g/mol
LogP1.93
Rot. Bonds1

About 6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione

6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione (PubChem CID 2825962) has the molecular formula C12H6ClN3O2 and a molecular weight of 259.65 g/mol. Its IUPAC name is 6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
PubChem CID2825962
Molecular FormulaC12H6ClN3O2
Molecular Weight259.65 g/mol
Exact Mass259.01
IUPAC Name6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESO=C1c2nccnc2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C12H6ClN3O2/c13-7-1-3-8(4-2-7)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H
InChIKeyGWFNTHAZJFYGEA-UHFFFAOYSA-N
XLogP1.93
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The IUPAC name of 6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione (CID 2825962) is 6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione.
What is the SMILES notation for 6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The canonical SMILES for 6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione is O=C1c2nccnc2C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The InChIKey is GWFNTHAZJFYGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN3O2/c13-7-1-3-8(4-2-7)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H.
What are the key properties of 6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione has a molecular weight of 259.65 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione is sourced from PubChem (CID 2825962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).