2-tert-butyl-4,6-dichloro-1,3,5-triazine

C7H9Cl2N3 — CID 15325922

IUPAC2-tert-butyl-4,6-dichloro-1,3,5-triazine
SMILESCC(C)(C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3/c1-7(2,3)4-10-5(8)12-6(9)11-4/h1-3H3
InChIKeyMKOAJICWQJCFMS-UHFFFAOYSA-N
MW206.08 g/mol
LogP2.48
Rot. Bonds

About 2-tert-butyl-4,6-dichloro-1,3,5-triazine

2-tert-butyl-4,6-dichloro-1,3,5-triazine (PubChem CID 15325922) has the molecular formula C7H9Cl2N3 and a molecular weight of 206.08 g/mol. Its IUPAC name is 2-tert-butyl-4,6-dichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4,6-dichloro-1,3,5-triazine
PubChem CID15325922
Molecular FormulaC7H9Cl2N3
Molecular Weight206.08 g/mol
Exact Mass205.02
IUPAC Name2-tert-butyl-4,6-dichloro-1,3,5-triazine
SMILESCC(C)(C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3/c1-7(2,3)4-10-5(8)12-6(9)11-4/h1-3H3
InChIKeyMKOAJICWQJCFMS-UHFFFAOYSA-N
XLogP2.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 52.48
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
4-Chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine
CID 11446828
2,4-Dichloro-6-cyclopropyl-1,3,5-triazine
CID 18965220
2-Tert-butyl-4-chloro-1,3,5-triazine
CID 58795800
2-Chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine
CID 87676010
2,4-Dichloro-6-ethyl-1,3,5-triazine
CID 12776
2-Chloro-4,6-diethyl-1,3,5-triazine
CID 12795
2,4-Diethyl-6-(trichloromethyl)-1,3,5-triazine
CID 35200
4-Chloro-6-isopropyl-1,3,5-triazin-2-amine
CID 11116532
2,4,6-Tritert-butyl-1,3,5-triazine
CID 12208120
2,4-Di-tert-butyl-6-chloro-1,3,5-triazine
CID 88683366
2-Chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine
CID 88916637

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6-dichloro-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4,6-dichloro-1,3,5-triazine (CID 15325922) is 2-tert-butyl-4,6-dichloro-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4,6-dichloro-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4,6-dichloro-1,3,5-triazine is CC(C)(C)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-tert-butyl-4,6-dichloro-1,3,5-triazine?
The InChIKey is MKOAJICWQJCFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3/c1-7(2,3)4-10-5(8)12-6(9)11-4/h1-3H3.
What are the key properties of 2-tert-butyl-4,6-dichloro-1,3,5-triazine?
2-tert-butyl-4,6-dichloro-1,3,5-triazine has a molecular weight of 206.08 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-dichloro-1,3,5-triazine is sourced from PubChem (CID 15325922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).