6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine

C17H11ClF3N3O — CID 6405015

IUPAC6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine
SMILESFC(F)(F)COc1nc(-c2ccccc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF3N3O/c18-13-8-6-11(7-9-13)14-16(25-10-17(19,20)21)22-15(24-23-14)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyBWDDCKRQIVYAJK-UHFFFAOYSA-N
MW365.74 g/mol
LogP4.80
Rot. Bonds4

About 6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine

6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine (PubChem CID 6405015) has the molecular formula C17H11ClF3N3O and a molecular weight of 365.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine
PubChem CID6405015
Molecular FormulaC17H11ClF3N3O
Molecular Weight365.74 g/mol
Exact Mass365.05
IUPAC Name6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine
SMILESFC(F)(F)COc1nc(-c2ccccc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF3N3O/c18-13-8-6-11(7-9-13)14-16(25-10-17(19,20)21)22-15(24-23-14)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyBWDDCKRQIVYAJK-UHFFFAOYSA-N
XLogP4.80
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine?
The IUPAC name of 6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine (CID 6405015) is 6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine?
The canonical SMILES for 6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine is FC(F)(F)COc1nc(-c2ccccc2)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine?
The InChIKey is BWDDCKRQIVYAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O/c18-13-8-6-11(7-9-13)14-16(25-10-17(19,20)21)22-15(24-23-14)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine?
6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine has a molecular weight of 365.74 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine is sourced from PubChem (CID 6405015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).