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

C21H42N6O3 — CID 15289721

IUPAC1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCN(CC)CCn1c(=O)n(CCN(CC)CC)c(=O)n(CCN(CC)CC)c1=O
InChIInChI=1S/C21H42N6O3/c1-7-22(8-2)13-16-25-19(28)26(17-14-23(9-3)10-4)21(30)27(20(25)29)18-15-24(11-5)12-6/h7-18H2,1-6H3
InChIKeyAYXWJORHBWNBSC-UHFFFAOYSA-N
MW426.61 g/mol
LogP0.20
Rot. Bonds15

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

1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 15289721) has the molecular formula C21H42N6O3 and a molecular weight of 426.61 g/mol. Its IUPAC name is 1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID15289721
Molecular FormulaC21H42N6O3
Molecular Weight426.61 g/mol
Exact Mass426.33
IUPAC Name1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCN(CC)CCn1c(=O)n(CCN(CC)CC)c(=O)n(CCN(CC)CC)c1=O
InChIInChI=1S/C21H42N6O3/c1-7-22(8-2)13-16-25-19(28)26(17-14-23(9-3)10-4)21(30)27(20(25)29)18-15-24(11-5)12-6/h7-18H2,1-6H3
InChIKeyAYXWJORHBWNBSC-UHFFFAOYSA-N
XLogP0.20
TPSA75.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione (CID 15289721) is 1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione is CCN(CC)CCn1c(=O)n(CCN(CC)CC)c(=O)n(CCN(CC)CC)c1=O.
What is the InChIKey of 1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is AYXWJORHBWNBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N6O3/c1-7-22(8-2)13-16-25-19(28)26(17-14-23(9-3)10-4)21(30)27(20(25)29)18-15-24(11-5)12-6/h7-18H2,1-6H3.
What are the key properties of 1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 426.61 g/mol, XLogP of 0.20, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[2-(diethylamino)ethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 15289721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).