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

C13H8ClN3O2 — CID 16724719

IUPAC6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESO=C1c2nccnc2C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H8ClN3O2/c14-9-3-1-8(2-4-9)7-17-12(18)10-11(13(17)19)16-6-5-15-10/h1-6H,7H2
InChIKeyHMOXQQGDZNPBQA-UHFFFAOYSA-N
MW273.68 g/mol
LogP1.93
Rot. Bonds2

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

6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione (PubChem CID 16724719) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione
PubChem CID16724719
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESO=C1c2nccnc2C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H8ClN3O2/c14-9-3-1-8(2-4-9)7-17-12(18)10-11(13(17)19)16-6-5-15-10/h1-6H,7H2
InChIKeyHMOXQQGDZNPBQA-UHFFFAOYSA-N
XLogP1.93
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
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)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione?
The IUPAC name of 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione (CID 16724719) is 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione is O=C1c2nccnc2C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione?
The InChIKey is HMOXQQGDZNPBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-9-3-1-8(2-4-9)7-17-12(18)10-11(13(17)19)16-6-5-15-10/h1-6H,7H2.
What are the key properties of 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione?
6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione has a molecular weight of 273.68 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyrazine-5,7-dione is sourced from PubChem (CID 16724719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).