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

C11H9Cl2N3O — CID 81036872

IUPAC3,6-dichloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine
SMILESCc1ccc(Oc2nc(Cl)nnc2Cl)cc1C
InChIInChI=1S/C11H9Cl2N3O/c1-6-3-4-8(5-7(6)2)17-10-9(12)15-16-11(13)14-10/h3-5H,1-2H3
InChIKeyJGYFXCBMPMBWPM-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.59
Rot. Bonds2

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

3,6-dichloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine (PubChem CID 81036872) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 3,6-dichloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine
PubChem CID81036872
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name3,6-dichloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine
SMILESCc1ccc(Oc2nc(Cl)nnc2Cl)cc1C
InChIInChI=1S/C11H9Cl2N3O/c1-6-3-4-8(5-7(6)2)17-10-9(12)15-16-11(13)14-10/h3-5H,1-2H3
InChIKeyJGYFXCBMPMBWPM-UHFFFAOYSA-N
XLogP3.59
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.59
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-(3,4-dimethylphenoxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine (CID 81036872) is 3,6-dichloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine is Cc1ccc(Oc2nc(Cl)nnc2Cl)cc1C.
What is the InChIKey of 3,6-dichloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine?
The InChIKey is JGYFXCBMPMBWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-6-3-4-8(5-7(6)2)17-10-9(12)15-16-11(13)14-10/h3-5H,1-2H3.
What are the key properties of 3,6-dichloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine?
3,6-dichloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine has a molecular weight of 270.12 g/mol, XLogP of 3.59, 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-(3,4-dimethylphenoxy)-1,2,4-triazine is sourced from PubChem (CID 81036872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).