1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione

C15H27N3O6 — CID 90779378

IUPAC1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCOCCn1c(=O)n(CCOCC)c(=O)n(CCOCC)c1=O
InChIInChI=1S/C15H27N3O6/c1-4-22-10-7-16-13(19)17(8-11-23-5-2)15(21)18(14(16)20)9-12-24-6-3/h4-12H2,1-3H3
InChIKeyBRAGJUYZJRMCCV-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.72
Rot. Bonds12

About 1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione

1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 90779378) has the molecular formula C15H27N3O6 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID90779378
Molecular FormulaC15H27N3O6
Molecular Weight345.40 g/mol
Exact Mass345.19
IUPAC Name1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCOCCn1c(=O)n(CCOCC)c(=O)n(CCOCC)c1=O
InChIInChI=1S/C15H27N3O6/c1-4-22-10-7-16-13(19)17(8-11-23-5-2)15(21)18(14(16)20)9-12-24-6-3/h4-12H2,1-3H3
InChIKeyBRAGJUYZJRMCCV-UHFFFAOYSA-N
XLogP-0.72
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(2-methoxyethyl)morpholine-4-carboxamide
CID 4254013
N,N-dimethylmorpholine-4-carboxamide
CID 3411496
N-Butyl-N-ethyl-4-morpholinecarboxamide
CID 3765981
1-Methyl 3,5-bis-(2-hydroxyethyl) isocyanurate
CID 23550168
1,3,5-Tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 90225111
(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tri(ethane-2,1-diyl) triacetate
CID 21535324
N,N-diethylmorpholine-4-carboxamide
CID 669641
Ethyl 2-[3,5-bis(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
CID 14956737
1-Methyl 3,5-bis[2-(2-chloro-ethoxy)ethyl]-1,3,5-triazine-2,4,6(1h,3h,5h)-trione
CID 15496145
4,6,12,14-Tetramethyl-1,9-dioxa-4,6,12,14-tetraazahexadecane-5,13-dione
CID 546381
5-(2-Hydroxyethyl)-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one
CID 73893398
N,N-Dibutyl morpholine-4-carboxamide
CID 3410819

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 90779378) is 1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione is CCOCCn1c(=O)n(CCOCC)c(=O)n(CCOCC)c1=O.
What is the InChIKey of 1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is BRAGJUYZJRMCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O6/c1-4-22-10-7-16-13(19)17(8-11-23-5-2)15(21)18(14(16)20)9-12-24-6-3/h4-12H2,1-3H3.
What are the key properties of 1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 345.40 g/mol, XLogP of -0.72, 12 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-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 90779378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).