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

C9H15N3O6 — CID 23386288

IUPAC1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCn1c(=O)n(COC)c(=O)n(COC)c1=O
InChIInChI=1S/C9H15N3O6/c1-16-4-10-7(13)11(5-17-2)9(15)12(6-18-3)8(10)14/h4-6H2,1-3H3
InChIKeyOACFRAFZVCBNJA-UHFFFAOYSA-N
MW261.23 g/mol
LogP-2.02
Rot. Bonds6

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

1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 23386288) has the molecular formula C9H15N3O6 and a molecular weight of 261.23 g/mol. Its IUPAC name is 1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID23386288
Molecular FormulaC9H15N3O6
Molecular Weight261.23 g/mol
Exact Mass261.10
IUPAC Name1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCn1c(=O)n(COC)c(=O)n(COC)c1=O
InChIInChI=1S/C9H15N3O6/c1-16-4-10-7(13)11(5-17-2)9(15)12(6-18-3)8(10)14/h4-6H2,1-3H3
InChIKeyOACFRAFZVCBNJA-UHFFFAOYSA-N
XLogP-2.02
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-2.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione (CID 23386288) is 1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione is COCn1c(=O)n(COC)c(=O)n(COC)c1=O.
What is the InChIKey of 1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is OACFRAFZVCBNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O6/c1-16-4-10-7(13)11(5-17-2)9(15)12(6-18-3)8(10)14/h4-6H2,1-3H3.
What are the key properties of 1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 261.23 g/mol, XLogP of -2.02, 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(methoxymethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 23386288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).