2-tert-butyl-4-methyl-1,3,5-triazine

C8H13N3 — CID 20687906

IUPAC2-tert-butyl-4-methyl-1,3,5-triazine
SMILESCc1ncnc(C(C)(C)C)n1
InChIInChI=1S/C8H13N3/c1-6-9-5-10-7(11-6)8(2,3)4/h5H,1-4H3
InChIKeyKZAGHQUCCWHAGN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.48
Rot. Bonds

About 2-tert-butyl-4-methyl-1,3,5-triazine

2-tert-butyl-4-methyl-1,3,5-triazine (PubChem CID 20687906) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-1,3,5-triazine
PubChem CID20687906
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-tert-butyl-4-methyl-1,3,5-triazine
SMILESCc1ncnc(C(C)(C)C)n1
InChIInChI=1S/C8H13N3/c1-6-9-5-10-7(11-6)8(2,3)4/h5H,1-4H3
InChIKeyKZAGHQUCCWHAGN-UHFFFAOYSA-N
XLogP1.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-4-methyl-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

Related Compounds

2,4,6-Triethyltriazine
CID 13889
2-Tert-butyl-4-chloro-1,3,5-triazine
CID 58795800
2,4-Dimethyl-1,3,5-triazine
CID 15593
2-Methyl-1,3,5-triazine
CID 19208
2-Ethyl-1,3,5-triazine
CID 19193
2,4-Diethyl-1,3,5-triazine
CID 19194
2,4,6-Tritert-butyl-1,3,5-triazine
CID 12208120
2-Isopropyl-4,6-dimethyl-1,3,5-triazine
CID 12269918
4-Isopropyl-1,3,5-triazin-2-amine
CID 21138957
2-(1-Fluoroethyl)-1,3,5-triazine
CID 18964718
2-(1-Fluoropropan-2-yl)-1,3,5-triazine
CID 23183711
2-Ethyl-4-fluoro-1,3,5-triazine
CID 54234250

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-methyl-1,3,5-triazine (CID 20687906) is 2-tert-butyl-4-methyl-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-methyl-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-methyl-1,3,5-triazine is Cc1ncnc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-methyl-1,3,5-triazine?
The InChIKey is KZAGHQUCCWHAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-9-5-10-7(11-6)8(2,3)4/h5H,1-4H3.
What are the key properties of 2-tert-butyl-4-methyl-1,3,5-triazine?
2-tert-butyl-4-methyl-1,3,5-triazine has a molecular weight of 151.21 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-1,3,5-triazine is sourced from PubChem (CID 20687906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).