bis(3-hydroxypyrrolidine-2,5-dione);triazine

C11H13N5O6 — CID 66877160

IUPACbis(3-hydroxypyrrolidine-2,5-dione);triazine
SMILESO=C1CC(O)C(=O)N1.O=C1CC(O)C(=O)N1.c1cnnnc1
InChIInChI=1S/2C4H5NO3.C3H3N3/c2*6-2-1-3(7)5-4(2)8;1-2-4-6-5-3-1/h2*2,6H,1H2,(H,5,7,8);1-3H
InChIKeyAXIDXMGERUUDDI-UHFFFAOYSA-N
MW311.25 g/mol
LogP-3.34
Rot. Bonds

About bis(3-hydroxypyrrolidine-2,5-dione);triazine

bis(3-hydroxypyrrolidine-2,5-dione);triazine (PubChem CID 66877160) has the molecular formula C11H13N5O6 and a molecular weight of 311.25 g/mol. Its IUPAC name is bis(3-hydroxypyrrolidine-2,5-dione);triazine.

Molecular Properties

Compound Namebis(3-hydroxypyrrolidine-2,5-dione);triazine
PubChem CID66877160
Molecular FormulaC11H13N5O6
Molecular Weight311.25 g/mol
Exact Mass311.09
IUPAC Namebis(3-hydroxypyrrolidine-2,5-dione);triazine
SMILESO=C1CC(O)C(=O)N1.O=C1CC(O)C(=O)N1.c1cnnnc1
InChIInChI=1S/2C4H5NO3.C3H3N3/c2*6-2-1-3(7)5-4(2)8;1-2-4-6-5-3-1/h2*2,6H,1H2,(H,5,7,8);1-3H
InChIKeyAXIDXMGERUUDDI-UHFFFAOYSA-N
XLogP-3.34
TPSA171.47 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 5-3.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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(3-hydroxypyrrolidine-2,5-dione);triazine?
The IUPAC name of bis(3-hydroxypyrrolidine-2,5-dione);triazine (CID 66877160) is bis(3-hydroxypyrrolidine-2,5-dione);triazine.
What is the SMILES notation for bis(3-hydroxypyrrolidine-2,5-dione);triazine?
The canonical SMILES for bis(3-hydroxypyrrolidine-2,5-dione);triazine is O=C1CC(O)C(=O)N1.O=C1CC(O)C(=O)N1.c1cnnnc1.
What is the InChIKey of bis(3-hydroxypyrrolidine-2,5-dione);triazine?
The InChIKey is AXIDXMGERUUDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5NO3.C3H3N3/c2*6-2-1-3(7)5-4(2)8;1-2-4-6-5-3-1/h2*2,6H,1H2,(H,5,7,8);1-3H.
What are the key properties of bis(3-hydroxypyrrolidine-2,5-dione);triazine?
bis(3-hydroxypyrrolidine-2,5-dione);triazine has a molecular weight of 311.25 g/mol, XLogP of -3.34, 0 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxypyrrolidine-2,5-dione);triazine is sourced from PubChem (CID 66877160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).