1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine

C15H18N6O6 — CID 23198959

IUPAC1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC=C)nc(OCC=C)n1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O3.C3H3N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3;7-1-4-2(8)6-3(9)5-1/h4-6H,1-3,7-9H2;(H3,4,5,6,7,8,9)
InChIKeyFXPHZFXHTZXUME-UHFFFAOYSA-N
MW378.35 g/mol
LogP-0.68
Rot. Bonds9

About 1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine

1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine (PubChem CID 23198959) has the molecular formula C15H18N6O6 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
PubChem CID23198959
Molecular FormulaC15H18N6O6
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC=C)nc(OCC=C)n1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O3.C3H3N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3;7-1-4-2(8)6-3(9)5-1/h4-6H,1-3,7-9H2;(H3,4,5,6,7,8,9)
InChIKeyFXPHZFXHTZXUME-UHFFFAOYSA-N
XLogP-0.68
TPSA164.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine with MolForge

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Related Compounds

prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 12040687
prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803258

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine?
The IUPAC name of 1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine (CID 23198959) is 1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine.
What is the SMILES notation for 1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine?
The canonical SMILES for 1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine is C=CCOc1nc(OCC=C)nc(OCC=C)n1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine?
The InChIKey is FXPHZFXHTZXUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.C3H3N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3;7-1-4-2(8)6-3(9)5-1/h4-6H,1-3,7-9H2;(H3,4,5,6,7,8,9).
What are the key properties of 1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine?
1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine has a molecular weight of 378.35 g/mol, XLogP of -0.68, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 23198959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).