1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione

C15H21N3O6 — CID 13186939

IUPAC1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC1OC1Cn1c(=O)n(CC2OC2C)c(=O)n(CC2OC2C)c1=O
InChIInChI=1S/C15H21N3O6/c1-7-10(22-7)4-16-13(19)17(5-11-8(2)23-11)15(21)18(14(16)20)6-12-9(3)24-12/h7-12H,4-6H2,1-3H3
InChIKeyWCOJDJMYJFTINJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP-1.47
Rot. Bonds6

About 1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 13186939) has the molecular formula C15H21N3O6 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID13186939
Molecular FormulaC15H21N3O6
Molecular Weight339.35 g/mol
Exact Mass339.14
IUPAC Name1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC1OC1Cn1c(=O)n(CC2OC2C)c(=O)n(CC2OC2C)c1=O
InChIInChI=1S/C15H21N3O6/c1-7-10(22-7)4-16-13(19)17(5-11-8(2)23-11)15(21)18(14(16)20)6-12-9(3)24-12/h7-12H,4-6H2,1-3H3
InChIKeyWCOJDJMYJFTINJ-UHFFFAOYSA-N
XLogP-1.47
TPSA103.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane
CID 158376177
1,3-Bis(oxiran-2-ylmethyl)-5-(2,2,3,3-tetrafluoropentyl)-1,3,5-triazinane-2,4,6-trione
CID 160421644
1,3-Bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione
CID 158376178

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione (CID 13186939) is 1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione is CC1OC1Cn1c(=O)n(CC2OC2C)c(=O)n(CC2OC2C)c1=O.
What is the InChIKey of 1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is WCOJDJMYJFTINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6/c1-7-10(22-7)4-16-13(19)17(5-11-8(2)23-11)15(21)18(14(16)20)6-12-9(3)24-12/h7-12H,4-6H2,1-3H3.
What are the key properties of 1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 339.35 g/mol, XLogP of -1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 13186939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).