2,4-ditert-butyl-6-chloro-1,3,5-triazine

C11H18ClN3 — CID 88683366

IUPAC2,4-ditert-butyl-6-chloro-1,3,5-triazine
SMILESCC(C)(C)c1nc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C11H18ClN3/c1-10(2,3)7-13-8(11(4,5)6)15-9(12)14-7/h1-6H3
InChIKeyVQGDXNFMWSFZSX-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.12
Rot. Bonds

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

2,4-ditert-butyl-6-chloro-1,3,5-triazine (PubChem CID 88683366) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-chloro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-chloro-1,3,5-triazine
PubChem CID88683366
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name2,4-ditert-butyl-6-chloro-1,3,5-triazine
SMILESCC(C)(C)c1nc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C11H18ClN3/c1-10(2,3)7-13-8(11(4,5)6)15-9(12)14-7/h1-6H3
InChIKeyVQGDXNFMWSFZSX-UHFFFAOYSA-N
XLogP3.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-6-(propan-2-yl)-1,3,5-triazine
CID 35648
2,4,6-Triethyltriazine
CID 13889
2,4,6-Tri(propan-2-yl)-1,3,5-triazine
CID 32829
2-Chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine
CID 87676010
2-Chloro-4,6-diethyl-1,3,5-triazine
CID 12795
2,4-Diethyl-6-(trichloromethyl)-1,3,5-triazine
CID 35200
2,4,6-Tritert-butyl-1,3,5-triazine
CID 12208120
2-Isopropyl-4,6-dimethyl-1,3,5-triazine
CID 12269918
2-Methyl-4,6-di(propan-2-yl)-1,3,5-triazine
CID 12269919
2-(Tert-butyl)-4,6-dichloro-1,3,5-triazine
CID 15325922
Bis(propan-2-yl)-1,3,5-triazin-2-amine
CID 63869137
4,6-Di-t-butyl-1,3,5-triazin-2-amine
CID 63869153

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-chloro-1,3,5-triazine?
The IUPAC name of 2,4-ditert-butyl-6-chloro-1,3,5-triazine (CID 88683366) is 2,4-ditert-butyl-6-chloro-1,3,5-triazine.
What is the SMILES notation for 2,4-ditert-butyl-6-chloro-1,3,5-triazine?
The canonical SMILES for 2,4-ditert-butyl-6-chloro-1,3,5-triazine is CC(C)(C)c1nc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-6-chloro-1,3,5-triazine?
The InChIKey is VQGDXNFMWSFZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-10(2,3)7-13-8(11(4,5)6)15-9(12)14-7/h1-6H3.
What are the key properties of 2,4-ditert-butyl-6-chloro-1,3,5-triazine?
2,4-ditert-butyl-6-chloro-1,3,5-triazine has a molecular weight of 227.74 g/mol, XLogP of 3.12, 0 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-chloro-1,3,5-triazine is sourced from PubChem (CID 88683366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).