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

C10H17N3O6 — CID 71196347

IUPAC1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCCn1c(=O)n(CCO)c(=O)n(CCO)c1=O
InChIInChI=1S/C10H17N3O6/c1-19-7-4-13-9(17)11(2-5-14)8(16)12(3-6-15)10(13)18/h14-15H,2-7H2,1H3
InChIKeyGGLLOJQBQJEGGR-UHFFFAOYSA-N
MW275.26 g/mol
LogP-3.20
Rot. Bonds7

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

1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 71196347) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID71196347
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCCn1c(=O)n(CCO)c(=O)n(CCO)c1=O
InChIInChI=1S/C10H17N3O6/c1-19-7-4-13-9(17)11(2-5-14)8(16)12(3-6-15)10(13)18/h14-15H,2-7H2,1H3
InChIKeyGGLLOJQBQJEGGR-UHFFFAOYSA-N
XLogP-3.20
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-3.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 71196347) is 1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is COCCn1c(=O)n(CCO)c(=O)n(CCO)c1=O.
What is the InChIKey of 1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is GGLLOJQBQJEGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O6/c1-19-7-4-13-9(17)11(2-5-14)8(16)12(3-6-15)10(13)18/h14-15H,2-7H2,1H3.
What are the key properties of 1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 275.26 g/mol, XLogP of -3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 71196347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).