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

C11H15N3O5 — CID 20512028

IUPAC1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC1OC1Cn1c(=O)[nH]c(=O)n(CC2OC2C)c1=O
InChIInChI=1S/C11H15N3O5/c1-5-7(18-5)3-13-9(15)12-10(16)14(11(13)17)4-8-6(2)19-8/h5-8H,3-4H2,1-2H3,(H,12,15,16)
InChIKeyFOSZMXGZJPDKIJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.73
Rot. Bonds4

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

1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 20512028) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID20512028
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC1OC1Cn1c(=O)[nH]c(=O)n(CC2OC2C)c1=O
InChIInChI=1S/C11H15N3O5/c1-5-7(18-5)3-13-9(15)12-10(16)14(11(13)17)4-8-6(2)19-8/h5-8H,3-4H2,1-2H3,(H,12,15,16)
InChIKeyFOSZMXGZJPDKIJ-UHFFFAOYSA-N
XLogP-1.73
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 ≤ 5-1.73
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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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione (CID 20512028) is 1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione is CC1OC1Cn1c(=O)[nH]c(=O)n(CC2OC2C)c1=O.
What is the InChIKey of 1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is FOSZMXGZJPDKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-5-7(18-5)3-13-9(15)12-10(16)14(11(13)17)4-8-6(2)19-8/h5-8H,3-4H2,1-2H3,(H,12,15,16).
What are the key properties of 1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione?
1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 269.26 g/mol, XLogP of -1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 20512028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).