2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine

C15H9N3 — CID 170403777

IUPAC2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine
SMILESC=CC#Cc1nc(C#CC=C)nc(C#CC=C)n1
InChIInChI=1S/C15H9N3/c1-4-7-10-13-16-14(11-8-5-2)18-15(17-13)12-9-6-3/h4-6H,1-3H2
InChIKeyXLISTUBINZKJNV-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.48
Rot. Bonds

About 2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine

2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine (PubChem CID 170403777) has the molecular formula C15H9N3 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine
PubChem CID170403777
Molecular FormulaC15H9N3
Molecular Weight231.26 g/mol
Exact Mass231.08
IUPAC Name2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine
SMILESC=CC#Cc1nc(C#CC=C)nc(C#CC=C)n1
InChIInChI=1S/C15H9N3/c1-4-7-10-13-16-14(11-8-5-2)18-15(17-13)12-9-6-3/h4-6H,1-3H2
InChIKeyXLISTUBINZKJNV-UHFFFAOYSA-N
XLogP1.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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(but-3-en-1-ynyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine (CID 170403777) is 2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine is C=CC#Cc1nc(C#CC=C)nc(C#CC=C)n1.
What is the InChIKey of 2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine?
The InChIKey is XLISTUBINZKJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3/c1-4-7-10-13-16-14(11-8-5-2)18-15(17-13)12-9-6-3/h4-6H,1-3H2.
What are the key properties of 2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine?
2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine has a molecular weight of 231.26 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(but-3-en-1-ynyl)-1,3,5-triazine is sourced from PubChem (CID 170403777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).