2,4,6-tributyl-1,3,5-triazine

C15H27N3 — CID 20941

IUPAC2,4,6-tributyl-1,3,5-triazine
SMILESCCCCc1nc(CCCC)nc(CCCC)n1
InChIInChI=1S/C15H27N3/c1-4-7-10-13-16-14(11-8-5-2)18-15(17-13)12-9-6-3/h4-12H2,1-3H3
InChIKeyOPFJAODVGSZUDO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.90
Rot. Bonds9

About 2,4,6-tributyl-1,3,5-triazine

2,4,6-tributyl-1,3,5-triazine (PubChem CID 20941) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,4,6-tributyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tributyl-1,3,5-triazine
PubChem CID20941
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2,4,6-tributyl-1,3,5-triazine
SMILESCCCCc1nc(CCCC)nc(CCCC)n1
InChIInChI=1S/C15H27N3/c1-4-7-10-13-16-14(11-8-5-2)18-15(17-13)12-9-6-3/h4-12H2,1-3H3
InChIKeyOPFJAODVGSZUDO-UHFFFAOYSA-N
XLogP3.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tributyl-1,3,5-triazine?
The IUPAC name of 2,4,6-tributyl-1,3,5-triazine (CID 20941) is 2,4,6-tributyl-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tributyl-1,3,5-triazine?
The canonical SMILES for 2,4,6-tributyl-1,3,5-triazine is CCCCc1nc(CCCC)nc(CCCC)n1.
What is the InChIKey of 2,4,6-tributyl-1,3,5-triazine?
The InChIKey is OPFJAODVGSZUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-7-10-13-16-14(11-8-5-2)18-15(17-13)12-9-6-3/h4-12H2,1-3H3.
What are the key properties of 2,4,6-tributyl-1,3,5-triazine?
2,4,6-tributyl-1,3,5-triazine has a molecular weight of 249.40 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tributyl-1,3,5-triazine is sourced from PubChem (CID 20941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).