1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione

C17H26N6O10 — CID 130209578

About 1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione

1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 130209578) has the molecular formula C17H26N6O10 and a molecular weight of 474.43 g/mol. Its IUPAC name is 1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 130209578
• Molecular Formula: C17H26N6O10
• Molecular Weight: 474.43 g/mol
• Exact Mass: 474.17
• IUPAC Name: 1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
• SMILES: COCCn1c(=O)n(C)c(=O)n(CCOCn2c(=O)n(COC)c(=O)n(COC)c2=O)c1=O
• InChI: InChI=1S/C17H26N6O10/c1-18-12(24)19(5-7-30-2)14(26)20(13(18)25)6-8-33-11-23-16(28)21(9-31-3)15(27)22(10-32-4)17(23)29/h5-11H2,1-4H3
• InChIKey: OXWPVTSPVQLOQU-UHFFFAOYSA-N
• XLogP: -4.28
• TPSA: 168.92 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.43
LogP ≤ 5	-4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 130209578) is 1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione is COCCn1c(=O)n(C)c(=O)n(CCOCn2c(=O)n(COC)c(=O)n(COC)c2=O)c1=O.

What is the InChIKey of 1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?

The InChIKey is OXWPVTSPVQLOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O10/c1-18-12(24)19(5-7-30-2)14(26)20(13(18)25)6-8-33-11-23-16(28)21(9-31-3)15(27)22(10-32-4)17(23)29/h5-11H2,1-4H3.

What are the key properties of 1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?

1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 474.43 g/mol, XLogP of -4.28, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[3,5-bis(methoxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-3-(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 130209578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).