2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine

C14H25N3 — CID 138536112

IUPAC2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1nc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-9(2)10-15-11(13(3,4)5)17-12(16-10)14(6,7)8/h9H,1-8H3
InChIKeyKLNHTSWPAWMUEX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.59
Rot. Bonds1

About 2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine

2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine (PubChem CID 138536112) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine
PubChem CID138536112
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1nc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-9(2)10-15-11(13(3,4)5)17-12(16-10)14(6,7)8/h9H,1-8H3
InChIKeyKLNHTSWPAWMUEX-UHFFFAOYSA-N
XLogP3.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine (CID 138536112) is 2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine is CC(C)c1nc(C(C)(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine?
The InChIKey is KLNHTSWPAWMUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-9(2)10-15-11(13(3,4)5)17-12(16-10)14(6,7)8/h9H,1-8H3.
What are the key properties of 2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine?
2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine has a molecular weight of 235.37 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 138536112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).