3,5,6-tritert-butyl-1,2,4-triazine

C15H27N3 — CID 20829080

IUPAC3,5,6-tritert-butyl-1,2,4-triazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C15H27N3/c1-13(2,3)10-11(14(4,5)6)17-18-12(16-10)15(7,8)9/h1-9H3
InChIKeyIFUHOFVUDJXLSB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.76
Rot. Bonds

About 3,5,6-tritert-butyl-1,2,4-triazine

3,5,6-tritert-butyl-1,2,4-triazine (PubChem CID 20829080) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3,5,6-tritert-butyl-1,2,4-triazine.

Molecular Properties

Compound Name3,5,6-tritert-butyl-1,2,4-triazine
PubChem CID20829080
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3,5,6-tritert-butyl-1,2,4-triazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C15H27N3/c1-13(2,3)10-11(14(4,5)6)17-18-12(16-10)15(7,8)9/h1-9H3
InChIKeyIFUHOFVUDJXLSB-UHFFFAOYSA-N
XLogP3.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-tritert-butyl-1,2,4-triazine?
The IUPAC name of 3,5,6-tritert-butyl-1,2,4-triazine (CID 20829080) is 3,5,6-tritert-butyl-1,2,4-triazine.
What is the SMILES notation for 3,5,6-tritert-butyl-1,2,4-triazine?
The canonical SMILES for 3,5,6-tritert-butyl-1,2,4-triazine is CC(C)(C)c1nnc(C(C)(C)C)c(C(C)(C)C)n1.
What is the InChIKey of 3,5,6-tritert-butyl-1,2,4-triazine?
The InChIKey is IFUHOFVUDJXLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2,3)10-11(14(4,5)6)17-18-12(16-10)15(7,8)9/h1-9H3.
What are the key properties of 3,5,6-tritert-butyl-1,2,4-triazine?
3,5,6-tritert-butyl-1,2,4-triazine has a molecular weight of 249.40 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-tritert-butyl-1,2,4-triazine is sourced from PubChem (CID 20829080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).