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

C15H9Cl2N3O — CID 81036254

IUPAC3,6-dichloro-5-(4-phenylphenoxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C15H9Cl2N3O/c16-13-14(18-15(17)20-19-13)21-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyTUWRQWRFYVMBBA-UHFFFAOYSA-N
MW318.16 g/mol
LogP4.64
Rot. Bonds3

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

3,6-dichloro-5-(4-phenylphenoxy)-1,2,4-triazine (PubChem CID 81036254) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is 3,6-dichloro-5-(4-phenylphenoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(4-phenylphenoxy)-1,2,4-triazine
PubChem CID81036254
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name3,6-dichloro-5-(4-phenylphenoxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C15H9Cl2N3O/c16-13-14(18-15(17)20-19-13)21-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyTUWRQWRFYVMBBA-UHFFFAOYSA-N
XLogP4.64
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.64
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-(4-phenylphenoxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(4-phenylphenoxy)-1,2,4-triazine (CID 81036254) is 3,6-dichloro-5-(4-phenylphenoxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(4-phenylphenoxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(4-phenylphenoxy)-1,2,4-triazine is Clc1nnc(Cl)c(Oc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 3,6-dichloro-5-(4-phenylphenoxy)-1,2,4-triazine?
The InChIKey is TUWRQWRFYVMBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-13-14(18-15(17)20-19-13)21-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 3,6-dichloro-5-(4-phenylphenoxy)-1,2,4-triazine?
3,6-dichloro-5-(4-phenylphenoxy)-1,2,4-triazine has a molecular weight of 318.16 g/mol, XLogP of 4.64, 3 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-phenylphenoxy)-1,2,4-triazine is sourced from PubChem (CID 81036254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).