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

C9H4Cl3N3O — CID 81036456

IUPAC3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine
SMILESClc1ccc(Oc2nc(Cl)nnc2Cl)cc1
InChIInChI=1S/C9H4Cl3N3O/c10-5-1-3-6(4-2-5)16-8-7(11)14-15-9(12)13-8/h1-4H
InChIKeyDJDCIOCAGPNQDL-UHFFFAOYSA-N
MW276.51 g/mol
LogP3.62
Rot. Bonds2

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

3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine (PubChem CID 81036456) has the molecular formula C9H4Cl3N3O and a molecular weight of 276.51 g/mol. Its IUPAC name is 3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine
PubChem CID81036456
Molecular FormulaC9H4Cl3N3O
Molecular Weight276.51 g/mol
Exact Mass274.94
IUPAC Name3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine
SMILESClc1ccc(Oc2nc(Cl)nnc2Cl)cc1
InChIInChI=1S/C9H4Cl3N3O/c10-5-1-3-6(4-2-5)16-8-7(11)14-15-9(12)13-8/h1-4H
InChIKeyDJDCIOCAGPNQDL-UHFFFAOYSA-N
XLogP3.62
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine (CID 81036456) is 3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine is Clc1ccc(Oc2nc(Cl)nnc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine?
The InChIKey is DJDCIOCAGPNQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3N3O/c10-5-1-3-6(4-2-5)16-8-7(11)14-15-9(12)13-8/h1-4H.
What are the key properties of 3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine?
3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine has a molecular weight of 276.51 g/mol, XLogP of 3.62, 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-(4-chlorophenoxy)-1,2,4-triazine is sourced from PubChem (CID 81036456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).