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

C12H9N3O3 — CID 2827992

IUPAC2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine
SMILESC#CCOc1nc(OCC#C)nc(OCC#C)n1
InChIInChI=1S/C12H9N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h1-3H,7-9H2
InChIKeyDRFJNVUYUQQIDX-UHFFFAOYSA-N
MW243.22 g/mol
LogP-0.09
Rot. Bonds6

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

2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine (PubChem CID 2827992) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine
PubChem CID2827992
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine
SMILESC#CCOc1nc(OCC#C)nc(OCC#C)n1
InChIInChI=1S/C12H9N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h1-3H,7-9H2
InChIKeyDRFJNVUYUQQIDX-UHFFFAOYSA-N
XLogP-0.09
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine (CID 2827992) is 2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine is C#CCOc1nc(OCC#C)nc(OCC#C)n1.
What is the InChIKey of 2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine?
The InChIKey is DRFJNVUYUQQIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h1-3H,7-9H2.
What are the key properties of 2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine?
2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine has a molecular weight of 243.22 g/mol, XLogP of -0.09, 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-2-ynoxy)-1,3,5-triazine is sourced from PubChem (CID 2827992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).