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

C11H15N3O5 — CID 20511988

IUPAC1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC1(Cn2c(=O)[nH]c(=O)n(CC3(C)CO3)c2=O)CO1
InChIInChI=1S/C11H15N3O5/c1-10(5-18-10)3-13-7(15)12-8(16)14(9(13)17)4-11(2)6-19-11/h3-6H2,1-2H3,(H,12,15,16)
InChIKeyAVBUPJPCBSSUNO-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.72
Rot. Bonds4

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

1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 20511988) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID20511988
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC1(Cn2c(=O)[nH]c(=O)n(CC3(C)CO3)c2=O)CO1
InChIInChI=1S/C11H15N3O5/c1-10(5-18-10)3-13-7(15)12-8(16)14(9(13)17)4-11(2)6-19-11/h3-6H2,1-2H3,(H,12,15,16)
InChIKeyAVBUPJPCBSSUNO-UHFFFAOYSA-N
XLogP-1.72
TPSA101.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.72
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-[(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-Ethyl-3-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 19347708
1-(Oxiran-2-ylmethyl)-3-propyl-1,3,5-triazinane-2,4,6-trione
CID 19347712
1-[(2-Methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 20512017
1,3-Bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 20512028

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione (CID 20511988) is 1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione is CC1(Cn2c(=O)[nH]c(=O)n(CC3(C)CO3)c2=O)CO1.
What is the InChIKey of 1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is AVBUPJPCBSSUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-10(5-18-10)3-13-7(15)12-8(16)14(9(13)17)4-11(2)6-19-11/h3-6H2,1-2H3,(H,12,15,16).
What are the key properties of 1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione?
1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 269.26 g/mol, XLogP of -1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 20511988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).