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

C15H27N3O6 — CID 139885354

IUPAC1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione
SMILESCC(O)CCn1c(=O)n(CCC(C)O)c(=O)n(CCC(C)O)c1=O
InChIInChI=1S/C15H27N3O6/c1-10(19)4-7-16-13(22)17(8-5-11(2)20)15(24)18(14(16)23)9-6-12(3)21/h10-12,19-21H,4-9H2,1-3H3
InChIKeyJNSZYADGDOXTDL-UHFFFAOYSA-N
MW345.40 g/mol
LogP-1.52
Rot. Bonds9

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

1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 139885354) has the molecular formula C15H27N3O6 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID139885354
Molecular FormulaC15H27N3O6
Molecular Weight345.40 g/mol
Exact Mass345.19
IUPAC Name1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione
SMILESCC(O)CCn1c(=O)n(CCC(C)O)c(=O)n(CCC(C)O)c1=O
InChIInChI=1S/C15H27N3O6/c1-10(19)4-7-16-13(22)17(8-5-11(2)20)15(24)18(14(16)23)9-6-12(3)21/h10-12,19-21H,4-9H2,1-3H3
InChIKeyJNSZYADGDOXTDL-UHFFFAOYSA-N
XLogP-1.52
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1,3,5-tris(3-hydroxybutyl)-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

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione (CID 139885354) is 1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione is CC(O)CCn1c(=O)n(CCC(C)O)c(=O)n(CCC(C)O)c1=O.
What is the InChIKey of 1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is JNSZYADGDOXTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O6/c1-10(19)4-7-16-13(22)17(8-5-11(2)20)15(24)18(14(16)23)9-6-12(3)21/h10-12,19-21H,4-9H2,1-3H3.
What are the key properties of 1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 345.40 g/mol, XLogP of -1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(3-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 139885354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).