1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione

C15H6N6O6 — CID 22712674

IUPAC1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1nc(N2C(=O)C=CC2=O)nc(N2C(=O)C=CC2=O)n1
InChIInChI=1S/C15H6N6O6/c22-7-1-2-8(23)19(7)13-16-14(20-9(24)3-4-10(20)25)18-15(17-13)21-11(26)5-6-12(21)27/h1-6H
InChIKeyQIOXVYNXRSQWNL-UHFFFAOYSA-N
MW366.25 g/mol
LogP-1.84
Rot. Bonds3

About 1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione

1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione (PubChem CID 22712674) has the molecular formula C15H6N6O6 and a molecular weight of 366.25 g/mol. Its IUPAC name is 1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione
PubChem CID22712674
Molecular FormulaC15H6N6O6
Molecular Weight366.25 g/mol
Exact Mass366.03
IUPAC Name1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1nc(N2C(=O)C=CC2=O)nc(N2C(=O)C=CC2=O)n1
InChIInChI=1S/C15H6N6O6/c22-7-1-2-8(23)19(7)13-16-14(20-9(24)3-4-10(20)25)18-15(17-13)21-11(26)5-6-12(21)27/h1-6H
InChIKeyQIOXVYNXRSQWNL-UHFFFAOYSA-N
XLogP-1.84
TPSA150.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 5-1.84
H-Bond Donors ≤ 50
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 1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione (CID 22712674) is 1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1nc(N2C(=O)C=CC2=O)nc(N2C(=O)C=CC2=O)n1.
What is the InChIKey of 1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione?
The InChIKey is QIOXVYNXRSQWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6N6O6/c22-7-1-2-8(23)19(7)13-16-14(20-9(24)3-4-10(20)25)18-15(17-13)21-11(26)5-6-12(21)27/h1-6H.
What are the key properties of 1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione?
1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione has a molecular weight of 366.25 g/mol, XLogP of -1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 22712674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).