pyrrolidine-2,5-dione;triazine

C7H8N4O2 — CID 141119480

IUPACpyrrolidine-2,5-dione;triazine
SMILESO=C1CCC(=O)N1.c1cnnnc1
InChIInChI=1S/C4H5NO2.C3H3N3/c6-3-1-2-4(7)5-3;1-2-4-6-5-3-1/h1-2H2,(H,5,6,7);1-3H
InChIKeyDYTSOKIHLKXINH-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.71
Rot. Bonds

About pyrrolidine-2,5-dione;triazine

pyrrolidine-2,5-dione;triazine (PubChem CID 141119480) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is pyrrolidine-2,5-dione;triazine.

Molecular Properties

Compound Namepyrrolidine-2,5-dione;triazine
PubChem CID141119480
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Namepyrrolidine-2,5-dione;triazine
SMILESO=C1CCC(=O)N1.c1cnnnc1
InChIInChI=1S/C4H5NO2.C3H3N3/c6-3-1-2-4(7)5-3;1-2-4-6-5-3-1/h1-2H2,(H,5,6,7);1-3H
InChIKeyDYTSOKIHLKXINH-UHFFFAOYSA-N
XLogP-0.71
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine-2,5-dione;triazine?
The IUPAC name of pyrrolidine-2,5-dione;triazine (CID 141119480) is pyrrolidine-2,5-dione;triazine.
What is the SMILES notation for pyrrolidine-2,5-dione;triazine?
The canonical SMILES for pyrrolidine-2,5-dione;triazine is O=C1CCC(=O)N1.c1cnnnc1.
What is the InChIKey of pyrrolidine-2,5-dione;triazine?
The InChIKey is DYTSOKIHLKXINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C3H3N3/c6-3-1-2-4(7)5-3;1-2-4-6-5-3-1/h1-2H2,(H,5,6,7);1-3H.
What are the key properties of pyrrolidine-2,5-dione;triazine?
pyrrolidine-2,5-dione;triazine has a molecular weight of 180.17 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-2,5-dione;triazine is sourced from PubChem (CID 141119480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).