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

C12H21N3O6 — CID 11120211

IUPAC1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCC(O)Cn1c(=O)n(CC(C)O)c(=O)n(CC(C)O)c1=O
InChIInChI=1S/C12H21N3O6/c1-7(16)4-13-10(19)14(5-8(2)17)12(21)15(11(13)20)6-9(3)18/h7-9,16-18H,4-6H2,1-3H3
InChIKeyTUNKPLGAVXZFGZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP-2.69
Rot. Bonds6

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

1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 11120211) has the molecular formula C12H21N3O6 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID11120211
Molecular FormulaC12H21N3O6
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCC(O)Cn1c(=O)n(CC(C)O)c(=O)n(CC(C)O)c1=O
InChIInChI=1S/C12H21N3O6/c1-7(16)4-13-10(19)14(5-8(2)17)12(21)15(11(13)20)6-9(3)18/h7-9,16-18H,4-6H2,1-3H3
InChIKeyTUNKPLGAVXZFGZ-UHFFFAOYSA-N
XLogP-2.69
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-2.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione (CID 11120211) is 1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione is CC(O)Cn1c(=O)n(CC(C)O)c(=O)n(CC(C)O)c1=O.
What is the InChIKey of 1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is TUNKPLGAVXZFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O6/c1-7(16)4-13-10(19)14(5-8(2)17)12(21)15(11(13)20)6-9(3)18/h7-9,16-18H,4-6H2,1-3H3.
What are the key properties of 1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 303.32 g/mol, XLogP of -2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 11120211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).