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

C12H19N3O6 — CID 123910684

IUPAC1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCCn1c(=O)n(CCOC)c(=O)n(CC2CO2)c1=O
InChIInChI=1S/C12H19N3O6/c1-19-5-3-13-10(16)14(4-6-20-2)12(18)15(11(13)17)7-9-8-21-9/h9H,3-8H2,1-2H3
InChIKeyLHUDPFGGYJVURD-UHFFFAOYSA-N
MW301.30 g/mol
LogP-2.14
Rot. Bonds8

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

1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 123910684) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID123910684
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Name1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCCn1c(=O)n(CCOC)c(=O)n(CC2CO2)c1=O
InChIInChI=1S/C12H19N3O6/c1-19-5-3-13-10(16)14(4-6-20-2)12(18)15(11(13)17)7-9-8-21-9/h9H,3-8H2,1-2H3
InChIKeyLHUDPFGGYJVURD-UHFFFAOYSA-N
XLogP-2.14
TPSA96.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-2.14
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 1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione (CID 123910684) is 1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione is COCCn1c(=O)n(CCOC)c(=O)n(CC2CO2)c1=O.
What is the InChIKey of 1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is LHUDPFGGYJVURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O6/c1-19-5-3-13-10(16)14(4-6-20-2)12(18)15(11(13)17)7-9-8-21-9/h9H,3-8H2,1-2H3.
What are the key properties of 1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 301.30 g/mol, XLogP of -2.14, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 123910684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).