1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol

C13H27N3O6 — CID 142881549

IUPAC1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol
SMILESCC.CO.COCCn1c(=O)n(C)c(=O)n(CCOC)c1=O
InChIInChI=1S/C10H17N3O5.C2H6.CH4O/c1-11-8(14)12(4-6-17-2)10(16)13(9(11)15)5-7-18-3;2*1-2/h4-7H2,1-3H3;1-2H3;2H,1H3
InChIKeyIKMOIJHMCIEAHL-UHFFFAOYSA-N
MW321.37 g/mol
LogP-1.36
Rot. Bonds6

About 1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol

1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol (PubChem CID 142881549) has the molecular formula C13H27N3O6 and a molecular weight of 321.37 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol.

Molecular Properties

Compound Name1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol
PubChem CID142881549
Molecular FormulaC13H27N3O6
Molecular Weight321.37 g/mol
Exact Mass321.19
IUPAC Name1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol
SMILESCC.CO.COCCn1c(=O)n(C)c(=O)n(CCOC)c1=O
InChIInChI=1S/C10H17N3O5.C2H6.CH4O/c1-11-8(14)12(4-6-17-2)10(16)13(9(11)15)5-7-18-3;2*1-2/h4-7H2,1-3H3;1-2H3;2H,1H3
InChIKeyIKMOIJHMCIEAHL-UHFFFAOYSA-N
XLogP-1.36
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol?
The IUPAC name of 1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol (CID 142881549) is 1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol.
What is the SMILES notation for 1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol?
The canonical SMILES for 1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol is CC.CO.COCCn1c(=O)n(C)c(=O)n(CCOC)c1=O.
What is the InChIKey of 1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol?
The InChIKey is IKMOIJHMCIEAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5.C2H6.CH4O/c1-11-8(14)12(4-6-17-2)10(16)13(9(11)15)5-7-18-3;2*1-2/h4-7H2,1-3H3;1-2H3;2H,1H3.
What are the key properties of 1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol?
1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol has a molecular weight of 321.37 g/mol, XLogP of -1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol is sourced from PubChem (CID 142881549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).