bis(pyrrolidine-2,5-dione);triazine

C11H13N5O4 — CID 157144252

IUPACbis(pyrrolidine-2,5-dione);triazine
SMILESO=C1CCC(=O)N1.O=C1CCC(=O)N1.c1cnnnc1
InChIInChI=1S/2C4H5NO2.C3H3N3/c2*6-3-1-2-4(7)5-3;1-2-4-6-5-3-1/h2*1-2H2,(H,5,6,7);1-3H
InChIKeyAKNMZIUMLOOPMC-UHFFFAOYSA-N
MW279.26 g/mol
LogP-1.28
Rot. Bonds

About bis(pyrrolidine-2,5-dione);triazine

bis(pyrrolidine-2,5-dione);triazine (PubChem CID 157144252) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is bis(pyrrolidine-2,5-dione);triazine.

Molecular Properties

Compound Namebis(pyrrolidine-2,5-dione);triazine
PubChem CID157144252
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Namebis(pyrrolidine-2,5-dione);triazine
SMILESO=C1CCC(=O)N1.O=C1CCC(=O)N1.c1cnnnc1
InChIInChI=1S/2C4H5NO2.C3H3N3/c2*6-3-1-2-4(7)5-3;1-2-4-6-5-3-1/h2*1-2H2,(H,5,6,7);1-3H
InChIKeyAKNMZIUMLOOPMC-UHFFFAOYSA-N
XLogP-1.28
TPSA131.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

hydron;pyrrolidine-2,5-dione
CID 174652792
CID 70395227
CID 70395227
CID 157384744
CID 157384744
dimethylsulfanium;pyrrolidine-2,5-dione;chloride
CID 22025404
cyclohexa-2,5-diene-1,4-dione;triazine
CID 160652744
pyrrolidine-2,5-dione;sulfanylidenemolybdenum
CID 158754348
CID 160855081
CID 160855081
CID 157220346
CID 157220346
7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
CID 55255707
pyrrolidine-2,5-dione;stilbene
CID 70488570
oxalic acid;pyrrolidine-2,5-dione
CID 19913999
hydron;pyrrolidine-2,5-dione;tetrafluoroborate
CID 174783569

Frequently Asked Questions

What is the IUPAC name of bis(pyrrolidine-2,5-dione);triazine?
The IUPAC name of bis(pyrrolidine-2,5-dione);triazine (CID 157144252) is bis(pyrrolidine-2,5-dione);triazine.
What is the SMILES notation for bis(pyrrolidine-2,5-dione);triazine?
The canonical SMILES for bis(pyrrolidine-2,5-dione);triazine is O=C1CCC(=O)N1.O=C1CCC(=O)N1.c1cnnnc1.
What is the InChIKey of bis(pyrrolidine-2,5-dione);triazine?
The InChIKey is AKNMZIUMLOOPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5NO2.C3H3N3/c2*6-3-1-2-4(7)5-3;1-2-4-6-5-3-1/h2*1-2H2,(H,5,6,7);1-3H.
What are the key properties of bis(pyrrolidine-2,5-dione);triazine?
bis(pyrrolidine-2,5-dione);triazine has a molecular weight of 279.26 g/mol, XLogP of -1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyrrolidine-2,5-dione);triazine is sourced from PubChem (CID 157144252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).