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

C11H15N3O5 — CID 23083506

IUPAC1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O
InChIInChI=1S/C11H15N3O5/c1-2-12-9(15)13(3-7-5-18-7)11(17)14(10(12)16)4-8-6-19-8/h7-8H,2-6H2,1H3
InChIKeyJADWVQUNPSHTDE-UHFFFAOYSA-N
MW269.26 g/mol
LogP-2.01
Rot. Bonds5

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

1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 23083506) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID23083506
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O
InChIInChI=1S/C11H15N3O5/c1-2-12-9(15)13(3-7-5-18-7)11(17)14(10(12)16)4-8-6-19-8/h7-8H,2-6H2,1H3
InChIKeyJADWVQUNPSHTDE-UHFFFAOYSA-N
XLogP-2.01
TPSA91.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione (CID 23083506) is 1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione is CCn1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O.
What is the InChIKey of 1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is JADWVQUNPSHTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-12-9(15)13(3-7-5-18-7)11(17)14(10(12)16)4-8-6-19-8/h7-8H,2-6H2,1H3.
What are the key properties of 1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 269.26 g/mol, XLogP of -2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 23083506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).