2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine

C21H27N3 — CID 70020317

IUPAC2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine
SMILESC1=CC(c2nc(C3C=CCCC3)nc(C3C=CCCC3)n2)CCC1
InChIInChI=1S/C21H27N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h4,6,8,10,12,14,16-18H,1-3,5,7,9,11,13,15H2
InChIKeyMLYVKKJKXMYKFX-UHFFFAOYSA-N
MW321.47 g/mol
LogP5.34
Rot. Bonds3

About 2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine

2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine (PubChem CID 70020317) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine
PubChem CID70020317
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine
SMILESC1=CC(c2nc(C3C=CCCC3)nc(C3C=CCCC3)n2)CCC1
InChIInChI=1S/C21H27N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h4,6,8,10,12,14,16-18H,1-3,5,7,9,11,13,15H2
InChIKeyMLYVKKJKXMYKFX-UHFFFAOYSA-N
XLogP5.34
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine (CID 70020317) is 2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine is C1=CC(c2nc(C3C=CCCC3)nc(C3C=CCCC3)n2)CCC1.
What is the InChIKey of 2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine?
The InChIKey is MLYVKKJKXMYKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h4,6,8,10,12,14,16-18H,1-3,5,7,9,11,13,15H2.
What are the key properties of 2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine?
2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine has a molecular weight of 321.47 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(cyclohex-2-en-1-yl)-1,3,5-triazine is sourced from PubChem (CID 70020317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).