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

C12H15N3O3 — CID 21225420

IUPAC2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine
SMILESC/C=C/Oc1nc(O/C=C/C)nc(O/C=C/C)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/b7-4+,8-5+,9-6+
InChIKeyZOCXRFWBGJJJGK-OTWDQPKHSA-N
MW249.27 g/mol
LogP2.61
Rot. Bonds6

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

2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine (PubChem CID 21225420) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine
PubChem CID21225420
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine
SMILESC/C=C/Oc1nc(O/C=C/C)nc(O/C=C/C)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/b7-4+,8-5+,9-6+
InChIKeyZOCXRFWBGJJJGK-OTWDQPKHSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine (CID 21225420) is 2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine is C/C=C/Oc1nc(O/C=C/C)nc(O/C=C/C)n1.
What is the InChIKey of 2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine?
The InChIKey is ZOCXRFWBGJJJGK-OTWDQPKHSA-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/b7-4+,8-5+,9-6+.
What are the key properties of 2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine?
2,4,6-tris[(E)-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[(E)-prop-1-enoxy]-1,3,5-triazine is sourced from PubChem (CID 21225420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).