1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione

C12H15N3O6 — CID 158540944

IUPAC1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(C2CCO2)c(=O)n(C2CCO2)c(=O)n1C1CCO1
InChIInChI=1S/C12H15N3O6/c16-10-13(7-1-4-19-7)11(17)15(9-3-6-21-9)12(18)14(10)8-2-5-20-8/h7-9H,1-6H2
InChIKeyHOMYAJGOZUNOSA-UHFFFAOYSA-N
MW297.27 g/mol
LogP-1.07
Rot. Bonds3

About 1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione

1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 158540944) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione
PubChem CID158540944
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(C2CCO2)c(=O)n(C2CCO2)c(=O)n1C1CCO1
InChIInChI=1S/C12H15N3O6/c16-10-13(7-1-4-19-7)11(17)15(9-3-6-21-9)12(18)14(10)8-2-5-20-8/h7-9H,1-6H2
InChIKeyHOMYAJGOZUNOSA-UHFFFAOYSA-N
XLogP-1.07
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione (CID 158540944) is 1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione is O=c1n(C2CCO2)c(=O)n(C2CCO2)c(=O)n1C1CCO1.
What is the InChIKey of 1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is HOMYAJGOZUNOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c16-10-13(7-1-4-19-7)11(17)15(9-3-6-21-9)12(18)14(10)8-2-5-20-8/h7-9H,1-6H2.
What are the key properties of 1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 297.27 g/mol, XLogP of -1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 158540944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).