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

C12H21N3O6 — CID 20643254

IUPAC1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCCn1c(=O)n(CCOC)c(=O)n(CCOC)c1=O
InChIInChI=1S/C12H21N3O6/c1-19-7-4-13-10(16)14(5-8-20-2)12(18)15(11(13)17)6-9-21-3/h4-9H2,1-3H3
InChIKeyQFDWHYPUUJQBBX-UHFFFAOYSA-N
MW303.32 g/mol
LogP-1.89
Rot. Bonds9

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

1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 20643254) has the molecular formula C12H21N3O6 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID20643254
Molecular FormulaC12H21N3O6
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCCn1c(=O)n(CCOC)c(=O)n(CCOC)c1=O
InChIInChI=1S/C12H21N3O6/c1-19-7-4-13-10(16)14(5-8-20-2)12(18)15(11(13)17)6-9-21-3/h4-9H2,1-3H3
InChIKeyQFDWHYPUUJQBBX-UHFFFAOYSA-N
XLogP-1.89
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-1.89
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(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 20643254) is 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is COCCn1c(=O)n(CCOC)c(=O)n(CCOC)c1=O.
What is the InChIKey of 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is QFDWHYPUUJQBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O6/c1-19-7-4-13-10(16)14(5-8-20-2)12(18)15(11(13)17)6-9-21-3/h4-9H2,1-3H3.
What are the key properties of 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 303.32 g/mol, XLogP of -1.89, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 20643254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).