2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine

C12H17Cl2N3O — CID 55124230

IUPAC2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine
SMILESCC1CC(Oc2nc(Cl)nc(Cl)n2)CC(C)(C)C1
InChIInChI=1S/C12H17Cl2N3O/c1-7-4-8(6-12(2,3)5-7)18-11-16-9(13)15-10(14)17-11/h7-8H,4-6H2,1-3H3
InChIKeyVBTKVBFSNFHXOI-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.77
Rot. Bonds2

About 2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine

2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine (PubChem CID 55124230) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine
PubChem CID55124230
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine
SMILESCC1CC(Oc2nc(Cl)nc(Cl)n2)CC(C)(C)C1
InChIInChI=1S/C12H17Cl2N3O/c1-7-4-8(6-12(2,3)5-7)18-11-16-9(13)15-10(14)17-11/h7-8H,4-6H2,1-3H3
InChIKeyVBTKVBFSNFHXOI-UHFFFAOYSA-N
XLogP3.77
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine
CID 10709597
2-Chloro-4-ethoxy-6-(3-methylcyclohexyl)oxy-1,3,5-triazine
CID 55124365
2-Chloro-4-methoxy-6-(2-methylcyclohexyl)oxy-1,3,5-triazine
CID 55124591
2-Chloro-4-(2-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
CID 55124615
2-Chloro-4-(3-methylcyclohexyl)oxy-6-propoxy-1,3,5-triazine
CID 55197236
2-Chloro-4-methoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine
CID 62858464
2-Chloro-4-methoxy-6-(3-methylcyclohexyl)oxy-1,3,5-triazine
CID 62858466
2-Chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine
CID 62858517
2-Chloro-4-ethoxy-6-(2-methylcyclohexyl)oxy-1,3,5-triazine
CID 62858518
2,4-Dichloro-6-(4-methylcyclohexyl)oxy-1,3,5-triazine
CID 62859244
2,4-Dichloro-6-(2-ethylcyclohexyl)oxy-1,3,5-triazine
CID 62859245
2,4-Dichloro-6-(2-methylcyclohexyl)oxy-1,3,5-triazine
CID 62859246

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine (CID 55124230) is 2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine is CC1CC(Oc2nc(Cl)nc(Cl)n2)CC(C)(C)C1.
What is the InChIKey of 2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine?
The InChIKey is VBTKVBFSNFHXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-7-4-8(6-12(2,3)5-7)18-11-16-9(13)15-10(14)17-11/h7-8H,4-6H2,1-3H3.
What are the key properties of 2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine?
2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine has a molecular weight of 290.19 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazine is sourced from PubChem (CID 55124230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).