methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione

C13H25N3O6 — CID 161020718

IUPACmethane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC.COCCn1c(=O)n(CCOC)c(=O)n(CCOC)c1=O
InChIInChI=1S/C12H21N3O6.CH4/c1-19-7-4-13-10(16)14(5-8-20-2)12(18)15(11(13)17)6-9-21-3;/h4-9H2,1-3H3;1H4
InChIKeyTYIDAHGOGYNNAR-UHFFFAOYSA-N
MW319.36 g/mol
LogP-1.25
Rot. Bonds9

About methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione

methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 161020718) has the molecular formula C13H25N3O6 and a molecular weight of 319.36 g/mol. Its IUPAC name is methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Namemethane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID161020718
Molecular FormulaC13H25N3O6
Molecular Weight319.36 g/mol
Exact Mass319.17
IUPAC Namemethane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC.COCCn1c(=O)n(CCOC)c(=O)n(CCOC)c1=O
InChIInChI=1S/C12H21N3O6.CH4/c1-19-7-4-13-10(16)14(5-8-20-2)12(18)15(11(13)17)6-9-21-3;/h4-9H2,1-3H3;1H4
InChIKeyTYIDAHGOGYNNAR-UHFFFAOYSA-N
XLogP-1.25
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 161020718) is methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is C.COCCn1c(=O)n(CCOC)c(=O)n(CCOC)c1=O.
What is the InChIKey of methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is TYIDAHGOGYNNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O6.CH4/c1-19-7-4-13-10(16)14(5-8-20-2)12(18)15(11(13)17)6-9-21-3;/h4-9H2,1-3H3;1H4.
What are the key properties of methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 319.36 g/mol, XLogP of -1.25, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 161020718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).