1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione

C13H19N3O6 — CID 164769150

IUPAC1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCOCn1c(=O)n(CCC2CO2)c(=O)n(CCC2CO2)c1=O
InChIInChI=1S/C13H19N3O6/c1-20-8-16-12(18)14(4-2-9-6-21-9)11(17)15(13(16)19)5-3-10-7-22-10/h9-10H,2-8H2,1H3
InChIKeyWJVVNEOICKMPDB-UHFFFAOYSA-N
MW313.31 g/mol
LogP-1.65
Rot. Bonds8

About 1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione

1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 164769150) has the molecular formula C13H19N3O6 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID164769150
Molecular FormulaC13H19N3O6
Molecular Weight313.31 g/mol
Exact Mass313.13
IUPAC Name1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCOCn1c(=O)n(CCC2CO2)c(=O)n(CCC2CO2)c1=O
InChIInChI=1S/C13H19N3O6/c1-20-8-16-12(18)14(4-2-9-6-21-9)11(17)15(13(16)19)5-3-10-7-22-10/h9-10H,2-8H2,1H3
InChIKeyWJVVNEOICKMPDB-UHFFFAOYSA-N
XLogP-1.65
TPSA100.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione (CID 164769150) is 1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione is COCn1c(=O)n(CCC2CO2)c(=O)n(CCC2CO2)c1=O.
What is the InChIKey of 1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is WJVVNEOICKMPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O6/c1-20-8-16-12(18)14(4-2-9-6-21-9)11(17)15(13(16)19)5-3-10-7-22-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione?
1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 313.31 g/mol, XLogP of -1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3,5-bis[2-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 164769150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).