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

C8H13N3O6 — CID 21303671

IUPAC1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCn1c(=O)n(CO)c(=O)n(COC)c1=O
InChIInChI=1S/C8H13N3O6/c1-16-4-10-6(13)9(3-12)7(14)11(5-17-2)8(10)15/h12H,3-5H2,1-2H3
InChIKeyZHBIZYAPPRBVBO-UHFFFAOYSA-N
MW247.21 g/mol
LogP-2.67
Rot. Bonds5

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

1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 21303671) has the molecular formula C8H13N3O6 and a molecular weight of 247.21 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID21303671
Molecular FormulaC8H13N3O6
Molecular Weight247.21 g/mol
Exact Mass247.08
IUPAC Name1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCn1c(=O)n(CO)c(=O)n(COC)c1=O
InChIInChI=1S/C8H13N3O6/c1-16-4-10-6(13)9(3-12)7(14)11(5-17-2)8(10)15/h12H,3-5H2,1-2H3
InChIKeyZHBIZYAPPRBVBO-UHFFFAOYSA-N
XLogP-2.67
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 5-2.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione (CID 21303671) is 1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione is COCn1c(=O)n(CO)c(=O)n(COC)c1=O.
What is the InChIKey of 1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ZHBIZYAPPRBVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O6/c1-16-4-10-6(13)9(3-12)7(14)11(5-17-2)8(10)15/h12H,3-5H2,1-2H3.
What are the key properties of 1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione?
1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 247.21 g/mol, XLogP of -2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 21303671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).