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

C11H15Cl2N3O — CID 81035661

IUPAC3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine
SMILESCC1CC(C)CC(Oc2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C11H15Cl2N3O/c1-6-3-7(2)5-8(4-6)17-10-9(12)15-16-11(13)14-10/h6-8H,3-5H2,1-2H3
InChIKeyGQYWGXDIPUYFSZ-UHFFFAOYSA-N
MW276.17 g/mol
LogP3.38
Rot. Bonds2

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

3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine (PubChem CID 81035661) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine
PubChem CID81035661
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine
SMILESCC1CC(C)CC(Oc2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C11H15Cl2N3O/c1-6-3-7(2)5-8(4-6)17-10-9(12)15-16-11(13)14-10/h6-8H,3-5H2,1-2H3
InChIKeyGQYWGXDIPUYFSZ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine (CID 81035661) is 3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine is CC1CC(C)CC(Oc2nc(Cl)nnc2Cl)C1.
What is the InChIKey of 3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine?
The InChIKey is GQYWGXDIPUYFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-6-3-7(2)5-8(4-6)17-10-9(12)15-16-11(13)14-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine?
3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine has a molecular weight of 276.17 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(3,5-dimethylcyclohexyl)oxy-1,2,4-triazine is sourced from PubChem (CID 81035661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).