2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine

C21H33N3 — CID 59779984

IUPAC2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine
SMILESCC(C)(C)C=Cc1nc(C=CC(C)(C)C)nc(C=CC(C)(C)C)n1
InChIInChI=1S/C21H33N3/c1-19(2,3)13-10-16-22-17(11-14-20(4,5)6)24-18(23-16)12-15-21(7,8)9/h10-15H,1-9H3
InChIKeyHORXCYQKBCZPSL-UHFFFAOYSA-N
MW327.52 g/mol
LogP6.05
Rot. Bonds3

About 2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine

2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine (PubChem CID 59779984) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine
PubChem CID59779984
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine
SMILESCC(C)(C)C=Cc1nc(C=CC(C)(C)C)nc(C=CC(C)(C)C)n1
InChIInChI=1S/C21H33N3/c1-19(2,3)13-10-16-22-17(11-14-20(4,5)6)24-18(23-16)12-15-21(7,8)9/h10-15H,1-9H3
InChIKeyHORXCYQKBCZPSL-UHFFFAOYSA-N
XLogP6.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.52
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine (CID 59779984) is 2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine is CC(C)(C)C=Cc1nc(C=CC(C)(C)C)nc(C=CC(C)(C)C)n1.
What is the InChIKey of 2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine?
The InChIKey is HORXCYQKBCZPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3/c1-19(2,3)13-10-16-22-17(11-14-20(4,5)6)24-18(23-16)12-15-21(7,8)9/h10-15H,1-9H3.
What are the key properties of 2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine?
2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine has a molecular weight of 327.52 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(3,3-dimethylbut-1-enyl)-1,3,5-triazine is sourced from PubChem (CID 59779984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).