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

C9H11N3O5 — CID 23496527

IUPAC1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CC2CO2)c(=O)n1CC1CO1
InChIInChI=1S/C9H11N3O5/c13-7-10-8(14)12(2-6-4-17-6)9(15)11(7)1-5-3-16-5/h5-6H,1-4H2,(H,10,13,14)
InChIKeyWFCOXVISFBRIKN-UHFFFAOYSA-N
MW241.20 g/mol
LogP-2.50
Rot. Bonds4

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

1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 23496527) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID23496527
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CC2CO2)c(=O)n1CC1CO1
InChIInChI=1S/C9H11N3O5/c13-7-10-8(14)12(2-6-4-17-6)9(15)11(7)1-5-3-16-5/h5-6H,1-4H2,(H,10,13,14)
InChIKeyWFCOXVISFBRIKN-UHFFFAOYSA-N
XLogP-2.50
TPSA101.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-2.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Triglycidyl isocyanurate
CID 17142
Teroxirone
CID 6917771
beta-Triglycidyl isocyanurate, (+)-
CID 198383
N,N',N''-tris(2-methyl-2,3-epoxypropyl)-perhydro-2,4,6-oxo-1,3,5-triazine
CID 11267771
Triglycidyl isocyanurate, (S,S,S)-
CID 11197252
1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 155289327
1-[(2R)-2-hydroxypropyl]-3-[[(2R)-oxiran-2-yl]methyl]-5-[[(2S)-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 155289328
1-[(Oxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 22253209
1-Methyl-3,5-bis((oxiran-2-yl)methyl)-1,3,5-triazinane-2,4,6-trione
CID 22922743
Triglycidyl isocyanurate, (R,S,S)-
CID 23725045
1,3-Bis(oxiran-2-ylmethyl)-5-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazinane-2,4,6-trione
CID 142309951
1,3,5-Tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 13186939

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione (CID 23496527) is 1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)n(CC2CO2)c(=O)n1CC1CO1.
What is the InChIKey of 1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is WFCOXVISFBRIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c13-7-10-8(14)12(2-6-4-17-6)9(15)11(7)1-5-3-16-5/h5-6H,1-4H2,(H,10,13,14).
What are the key properties of 1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 241.20 g/mol, XLogP of -2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 23496527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).