1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione

C11H13ClN4O2 — CID 136571690

IUPAC1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCNc1cnc(Cl)cn1
InChIInChI=1S/C11H13ClN4O2/c12-8-6-15-9(7-14-8)13-4-1-5-16-10(17)2-3-11(16)18/h6-7H,1-5H2,(H,13,15)
InChIKeyYSCZMEUOGCCISW-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.08
Rot. Bonds5

About 1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione

1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione (PubChem CID 136571690) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione
PubChem CID136571690
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCNc1cnc(Cl)cn1
InChIInChI=1S/C11H13ClN4O2/c12-8-6-15-9(7-14-8)13-4-1-5-16-10(17)2-3-11(16)18/h6-7H,1-5H2,(H,13,15)
InChIKeyYSCZMEUOGCCISW-UHFFFAOYSA-N
XLogP1.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione (CID 136571690) is 1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCNc1cnc(Cl)cn1.
What is the InChIKey of 1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione?
The InChIKey is YSCZMEUOGCCISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c12-8-6-15-9(7-14-8)13-4-1-5-16-10(17)2-3-11(16)18/h6-7H,1-5H2,(H,13,15).
What are the key properties of 1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione?
1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione has a molecular weight of 268.70 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 136571690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).