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

C11H15Cl2N3O — CID 114340984

IUPAC2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine
SMILESCC1(C)CCC(Oc2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C11H15Cl2N3O/c1-11(2)5-3-7(4-6-11)17-10-15-8(12)14-9(13)16-10/h7H,3-6H2,1-2H3
InChIKeyOAVIDUWEBDNENM-UHFFFAOYSA-N
MW276.17 g/mol
LogP3.53
Rot. Bonds2

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

2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine (PubChem CID 114340984) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine
PubChem CID114340984
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine
SMILESCC1(C)CCC(Oc2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C11H15Cl2N3O/c1-11(2)5-3-7(4-6-11)17-10-15-8(12)14-9(13)16-10/h7H,3-6H2,1-2H3
InChIKeyOAVIDUWEBDNENM-UHFFFAOYSA-N
XLogP3.53
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine (CID 114340984) is 2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine is CC1(C)CCC(Oc2nc(Cl)nc(Cl)n2)CC1.
What is the InChIKey of 2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine?
The InChIKey is OAVIDUWEBDNENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-11(2)5-3-7(4-6-11)17-10-15-8(12)14-9(13)16-10/h7H,3-6H2,1-2H3.
What are the key properties of 2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine?
2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine has a molecular weight of 276.17 g/mol, XLogP of 3.53, 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-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine is sourced from PubChem (CID 114340984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).