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

C10H6BrCl2N3O — CID 81036655

IUPAC5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine
SMILESCc1cc(Br)ccc1Oc1nc(Cl)nnc1Cl
InChIInChI=1S/C10H6BrCl2N3O/c1-5-4-6(11)2-3-7(5)17-9-8(12)15-16-10(13)14-9/h2-4H,1H3
InChIKeyRXTKKNKJFZQVCN-UHFFFAOYSA-N
MW334.99 g/mol
LogP4.04
Rot. Bonds2

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

5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine (PubChem CID 81036655) has the molecular formula C10H6BrCl2N3O and a molecular weight of 334.99 g/mol. Its IUPAC name is 5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine
PubChem CID81036655
Molecular FormulaC10H6BrCl2N3O
Molecular Weight334.99 g/mol
Exact Mass332.91
IUPAC Name5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine
SMILESCc1cc(Br)ccc1Oc1nc(Cl)nnc1Cl
InChIInChI=1S/C10H6BrCl2N3O/c1-5-4-6(11)2-3-7(5)17-9-8(12)15-16-10(13)14-9/h2-4H,1H3
InChIKeyRXTKKNKJFZQVCN-UHFFFAOYSA-N
XLogP4.04
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.99
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine?
The IUPAC name of 5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine (CID 81036655) is 5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine.
What is the SMILES notation for 5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine?
The canonical SMILES for 5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine is Cc1cc(Br)ccc1Oc1nc(Cl)nnc1Cl.
What is the InChIKey of 5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine?
The InChIKey is RXTKKNKJFZQVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O/c1-5-4-6(11)2-3-7(5)17-9-8(12)15-16-10(13)14-9/h2-4H,1H3.
What are the key properties of 5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine?
5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine has a molecular weight of 334.99 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methylphenoxy)-3,6-dichloro-1,2,4-triazine is sourced from PubChem (CID 81036655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).