3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine

C15H9ClFN3 — CID 171920531

IUPAC3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine
SMILESFc1ccc(-c2cnc(-c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C15H9ClFN3/c16-12-5-1-11(2-6-12)15-18-9-14(19-20-15)10-3-7-13(17)8-4-10/h1-9H
InChIKeyUGEFUBBQYMTHAV-UHFFFAOYSA-N
MW285.71 g/mol
LogP4.00
Rot. Bonds2

About 3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine

3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine (PubChem CID 171920531) has the molecular formula C15H9ClFN3 and a molecular weight of 285.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine
PubChem CID171920531
Molecular FormulaC15H9ClFN3
Molecular Weight285.71 g/mol
Exact Mass285.05
IUPAC Name3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine
SMILESFc1ccc(-c2cnc(-c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C15H9ClFN3/c16-12-5-1-11(2-6-12)15-18-9-14(19-20-15)10-3-7-13(17)8-4-10/h1-9H
InChIKeyUGEFUBBQYMTHAV-UHFFFAOYSA-N
XLogP4.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine?
The IUPAC name of 3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine (CID 171920531) is 3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine?
The canonical SMILES for 3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine is Fc1ccc(-c2cnc(-c3ccc(Cl)cc3)nn2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine?
The InChIKey is UGEFUBBQYMTHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3/c16-12-5-1-11(2-6-12)15-18-9-14(19-20-15)10-3-7-13(17)8-4-10/h1-9H.
What are the key properties of 3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine?
3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine has a molecular weight of 285.71 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(4-fluorophenyl)-1,2,4-triazine is sourced from PubChem (CID 171920531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).