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

C11H19N3O6 — CID 71196349

IUPAC1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCCn1c(=O)n(CCO)c(=O)n(CCOC)c1=O
InChIInChI=1S/C11H19N3O6/c1-19-7-4-13-9(16)12(3-6-15)10(17)14(11(13)18)5-8-20-2/h15H,3-8H2,1-2H3
InChIKeySGIJPNJBCOSDCQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP-2.54
Rot. Bonds8

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

1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 71196349) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID71196349
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCCn1c(=O)n(CCO)c(=O)n(CCOC)c1=O
InChIInChI=1S/C11H19N3O6/c1-19-7-4-13-9(16)12(3-6-15)10(17)14(11(13)18)5-8-20-2/h15H,3-8H2,1-2H3
InChIKeySGIJPNJBCOSDCQ-UHFFFAOYSA-N
XLogP-2.54
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-2.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 71196349) is 1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is COCCn1c(=O)n(CCO)c(=O)n(CCOC)c1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SGIJPNJBCOSDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-19-7-4-13-9(16)12(3-6-15)10(17)14(11(13)18)5-8-20-2/h15H,3-8H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 289.29 g/mol, XLogP of -2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 71196349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).