1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione

C12H21N3O7 — CID 66813010

IUPAC1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(CCOCCO)c(=O)n(CCOCCO)c1=O
InChIInChI=1S/C12H21N3O7/c1-13-10(18)14(2-6-21-8-4-16)12(20)15(11(13)19)3-7-22-9-5-17/h16-17H,2-9H2,1H3
InChIKeyHXRFQKPNQWHOPI-UHFFFAOYSA-N
MW319.31 g/mol
LogP-3.27
Rot. Bonds10

About 1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione

1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 66813010) has the molecular formula C12H21N3O7 and a molecular weight of 319.31 g/mol. Its IUPAC name is 1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID66813010
Molecular FormulaC12H21N3O7
Molecular Weight319.31 g/mol
Exact Mass319.14
IUPAC Name1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(CCOCCO)c(=O)n(CCOCCO)c1=O
InChIInChI=1S/C12H21N3O7/c1-13-10(18)14(2-6-21-8-4-16)12(20)15(11(13)19)3-7-22-9-5-17/h16-17H,2-9H2,1H3
InChIKeyHXRFQKPNQWHOPI-UHFFFAOYSA-N
XLogP-3.27
TPSA124.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 5-3.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-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

1-Methyl 3,5-bis-(2-hydroxyethyl) isocyanurate
CID 23550168
1-(2-Hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
CID 170848494
5-(2-Hydroxyethyl)-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one
CID 73893398
1,3-Diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 15307684
Dimethylcarbamoyl-[1-(2-hydroxyethoxy)-2-methoxyethyl]-dimethylazanium
CID 20185028
1,3,5-Tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 20643254
1-[2-(2,3-Dihydroxypropoxy)ethyl]-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 22765546
1-Ethyl-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 57669293
CID 57669297
CID 57669297
1-(2,3-Dihydroxypropyl)-3-[2-(2-ethoxyethoxy)ethyl]-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
CID 59245372
1-(2,3-Dihydroxypropyl)-3,5-bis[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
CID 59245394
1-(2,3-Dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
CID 59245425

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 66813010) is 1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)n(CCOCCO)c(=O)n(CCOCCO)c1=O.
What is the InChIKey of 1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is HXRFQKPNQWHOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O7/c1-13-10(18)14(2-6-21-8-4-16)12(20)15(11(13)19)3-7-22-9-5-17/h16-17H,2-9H2,1H3.
What are the key properties of 1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?
1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 319.31 g/mol, XLogP of -3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 66813010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).