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

C12H15N3O3 — CID 54557391

IUPAC2,4,6-tris(prop-1-enoxy)-1,3,5-triazine
SMILESCC=COc1nc(OC=CC)nc(OC=CC)n1
InChIInChI=1S/C12H15N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-9H,1-3H3
InChIKeyZOCXRFWBGJJJGK-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.61
Rot. Bonds6

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

2,4,6-tris(prop-1-enoxy)-1,3,5-triazine (PubChem CID 54557391) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2,4,6-tris(prop-1-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(prop-1-enoxy)-1,3,5-triazine
PubChem CID54557391
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2,4,6-tris(prop-1-enoxy)-1,3,5-triazine
SMILESCC=COc1nc(OC=CC)nc(OC=CC)n1
InChIInChI=1S/C12H15N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-9H,1-3H3
InChIKeyZOCXRFWBGJJJGK-UHFFFAOYSA-N
XLogP2.61
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2,4,6-tris(prop-1-enoxy)-1,3,5-triazine 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 2,4,6-tris(prop-1-enoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(prop-1-enoxy)-1,3,5-triazine (CID 54557391) is 2,4,6-tris(prop-1-enoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(prop-1-enoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(prop-1-enoxy)-1,3,5-triazine is CC=COc1nc(OC=CC)nc(OC=CC)n1.
What is the InChIKey of 2,4,6-tris(prop-1-enoxy)-1,3,5-triazine?
The InChIKey is ZOCXRFWBGJJJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-9H,1-3H3.
What are the key properties of 2,4,6-tris(prop-1-enoxy)-1,3,5-triazine?
2,4,6-tris(prop-1-enoxy)-1,3,5-triazine has a molecular weight of 249.27 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(prop-1-enoxy)-1,3,5-triazine is sourced from PubChem (CID 54557391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).