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

C9H15N3O6 — CID 13286

IUPAC1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CCO)c(=O)n(CCO)c(=O)n1CCO
InChIInChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2
InChIKeyBPXVHIRIPLPOPT-UHFFFAOYSA-N
MW261.23 g/mol
LogP-3.85
Rot. Bonds6

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

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 13286) has the molecular formula C9H15N3O6 and a molecular weight of 261.23 g/mol. Its IUPAC name is 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID13286
Molecular FormulaC9H15N3O6
Molecular Weight261.23 g/mol
Exact Mass261.10
IUPAC Name1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CCO)c(=O)n(CCO)c(=O)n1CCO
InChIInChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2
InChIKeyBPXVHIRIPLPOPT-UHFFFAOYSA-N
XLogP-3.85
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-3.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1,3,5-tris(2-hydroxyethyl)-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

1,3,5-Triazin-2(1H)-one, tetrahydro-5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-
CID 74617
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxypropyl)-
CID 11120211
Tris(hydroxy ethyl)isocyanurate
CID 21885027
1-Methyl 3,5-bis-(2-hydroxyethyl) isocyanurate
CID 23550168
1-Ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CID 104374
N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
CID 3066986
1-(2-Hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 18520329
1,3-Bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 57123327
Propane-1,1,1-triol;1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 170851769
1-(2-Chloroethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 791584
5-(2-Hydroxyethyl)-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one
CID 73893398
1,3,5-Tris(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
CID 13531052

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 13286) is 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is O=c1n(CCO)c(=O)n(CCO)c(=O)n1CCO.
What is the InChIKey of 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is BPXVHIRIPLPOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2.
What are the key properties of 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 261.23 g/mol, XLogP of -3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 13286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).