1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione

C24H48N6O6 — CID 4110217

IUPAC1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCN(CC)CC(O)Cn1c(=O)n(CC(O)CN(CC)CC)c(=O)n(CC(O)CN(CC)CC)c1=O
InChIInChI=1S/C24H48N6O6/c1-7-25(8-2)13-19(31)16-28-22(34)29(17-20(32)14-26(9-3)10-4)24(36)30(23(28)35)18-21(33)15-27(11-5)12-6/h19-21,31-33H,7-18H2,1-6H3
InChIKeyRHHQWJJTHGJSHV-UHFFFAOYSA-N
MW516.68 g/mol
LogP-1.72
Rot. Bonds18

About 1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 4110217) has the molecular formula C24H48N6O6 and a molecular weight of 516.68 g/mol. Its IUPAC name is 1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID4110217
Molecular FormulaC24H48N6O6
Molecular Weight516.68 g/mol
Exact Mass516.36
IUPAC Name1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCN(CC)CC(O)Cn1c(=O)n(CC(O)CN(CC)CC)c(=O)n(CC(O)CN(CC)CC)c1=O
InChIInChI=1S/C24H48N6O6/c1-7-25(8-2)13-19(31)16-28-22(34)29(17-20(32)14-26(9-3)10-4)24(36)30(23(28)35)18-21(33)15-27(11-5)12-6/h19-21,31-33H,7-18H2,1-6H3
InChIKeyRHHQWJJTHGJSHV-UHFFFAOYSA-N
XLogP-1.72
TPSA136.41 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.68
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione (CID 4110217) is 1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione is CCN(CC)CC(O)Cn1c(=O)n(CC(O)CN(CC)CC)c(=O)n(CC(O)CN(CC)CC)c1=O.
What is the InChIKey of 1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is RHHQWJJTHGJSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N6O6/c1-7-25(8-2)13-19(31)16-28-22(34)29(17-20(32)14-26(9-3)10-4)24(36)30(23(28)35)18-21(33)15-27(11-5)12-6/h19-21,31-33H,7-18H2,1-6H3.
What are the key properties of 1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 516.68 g/mol, XLogP of -1.72, 18 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 4110217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).