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

C12H15N3O6 — CID 18624306

IUPAC1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione
SMILESCC1OC1n1c(=O)n(C2OC2C)c(=O)n(C2OC2C)c1=O
InChIInChI=1S/C12H15N3O6/c1-4-7(19-4)13-10(16)14(8-5(2)20-8)12(18)15(11(13)17)9-6(3)21-9/h4-9H,1-3H3
InChIKeySUSHRSMQYXUCKY-UHFFFAOYSA-N
MW297.27 g/mol
LogP-1.08
Rot. Bonds3

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

1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 18624306) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione
PubChem CID18624306
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione
SMILESCC1OC1n1c(=O)n(C2OC2C)c(=O)n(C2OC2C)c1=O
InChIInChI=1S/C12H15N3O6/c1-4-7(19-4)13-10(16)14(8-5(2)20-8)12(18)15(11(13)17)9-6(3)21-9/h4-9H,1-3H3
InChIKeySUSHRSMQYXUCKY-UHFFFAOYSA-N
XLogP-1.08
TPSA103.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-1.08
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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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
1,3,5-Tris[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 13186939
1,3,5-Tris[1-(oxiran-2-yl)ethyl]-1,3,5-triazinane-2,4,6-trione
CID 17762835
1-Ethyl-3-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 19347708

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione (CID 18624306) is 1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione is CC1OC1n1c(=O)n(C2OC2C)c(=O)n(C2OC2C)c1=O.
What is the InChIKey of 1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SUSHRSMQYXUCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-4-7(19-4)13-10(16)14(8-5(2)20-8)12(18)15(11(13)17)9-6(3)21-9/h4-9H,1-3H3.
What are the key properties of 1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(3-methyloxiran-2-yl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 297.27 g/mol, XLogP of -1.08, 3 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)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 18624306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).