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

C11H9N5O4 — CID 66586304

IUPACbis(pyrrole-2,5-dione);triazine
SMILESO=C1C=CC(=O)N1.O=C1C=CC(=O)N1.c1cnnnc1
InChIInChI=1S/2C4H3NO2.C3H3N3/c2*6-3-1-2-4(7)5-3;1-2-4-6-5-3-1/h2*1-2H,(H,5,6,7);1-3H
InChIKeyMMABHMIOCAINNH-UHFFFAOYSA-N
MW275.22 g/mol
LogP-1.73
Rot. Bonds

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

bis(pyrrole-2,5-dione);triazine (PubChem CID 66586304) has the molecular formula C11H9N5O4 and a molecular weight of 275.22 g/mol. Its IUPAC name is bis(pyrrole-2,5-dione);triazine.

Molecular Properties

Compound Namebis(pyrrole-2,5-dione);triazine
PubChem CID66586304
Molecular FormulaC11H9N5O4
Molecular Weight275.22 g/mol
Exact Mass275.07
IUPAC Namebis(pyrrole-2,5-dione);triazine
SMILESO=C1C=CC(=O)N1.O=C1C=CC(=O)N1.c1cnnnc1
InChIInChI=1S/2C4H3NO2.C3H3N3/c2*6-3-1-2-4(7)5-3;1-2-4-6-5-3-1/h2*1-2H,(H,5,6,7);1-3H
InChIKeyMMABHMIOCAINNH-UHFFFAOYSA-N
XLogP-1.73
TPSA131.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(pyrrole-2,5-dione);triazine?
The IUPAC name of bis(pyrrole-2,5-dione);triazine (CID 66586304) is bis(pyrrole-2,5-dione);triazine.
What is the SMILES notation for bis(pyrrole-2,5-dione);triazine?
The canonical SMILES for bis(pyrrole-2,5-dione);triazine is O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.c1cnnnc1.
What is the InChIKey of bis(pyrrole-2,5-dione);triazine?
The InChIKey is MMABHMIOCAINNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3NO2.C3H3N3/c2*6-3-1-2-4(7)5-3;1-2-4-6-5-3-1/h2*1-2H,(H,5,6,7);1-3H.
What are the key properties of bis(pyrrole-2,5-dione);triazine?
bis(pyrrole-2,5-dione);triazine has a molecular weight of 275.22 g/mol, XLogP of -1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyrrole-2,5-dione);triazine is sourced from PubChem (CID 66586304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).