6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione

C11H8N4O4 — CID 162017674

IUPAC6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione
SMILESO=C1Cc2ccc(Nc3nc(=O)[nH]c(=O)[nH]3)cc2O1
InChIInChI=1S/C11H8N4O4/c16-8-3-5-1-2-6(4-7(5)19-8)12-9-13-10(17)15-11(18)14-9/h1-2,4H,3H2,(H3,12,13,14,15,17,18)
InChIKeyWHAPQOQNDDSWSY-UHFFFAOYSA-N
MW260.21 g/mol
LogP-0.34
Rot. Bonds2

About 6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione

6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione (PubChem CID 162017674) has the molecular formula C11H8N4O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is 6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione
PubChem CID162017674
Molecular FormulaC11H8N4O4
Molecular Weight260.21 g/mol
Exact Mass260.05
IUPAC Name6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione
SMILESO=C1Cc2ccc(Nc3nc(=O)[nH]c(=O)[nH]3)cc2O1
InChIInChI=1S/C11H8N4O4/c16-8-3-5-1-2-6(4-7(5)19-8)12-9-13-10(17)15-11(18)14-9/h1-2,4H,3H2,(H3,12,13,14,15,17,18)
InChIKeyWHAPQOQNDDSWSY-UHFFFAOYSA-N
XLogP-0.34
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione (CID 162017674) is 6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione is O=C1Cc2ccc(Nc3nc(=O)[nH]c(=O)[nH]3)cc2O1.
What is the InChIKey of 6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione?
The InChIKey is WHAPQOQNDDSWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O4/c16-8-3-5-1-2-6(4-7(5)19-8)12-9-13-10(17)15-11(18)14-9/h1-2,4H,3H2,(H3,12,13,14,15,17,18).
What are the key properties of 6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione?
6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione has a molecular weight of 260.21 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 162017674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).