2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one

C14H10F3N3O — CID 15209192

IUPAC2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=C1NC(c2ccccc2)(C(F)(F)F)N=C2C=CC=CN12
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)13(10-6-2-1-3-7-10)18-11-8-4-5-9-20(11)12(21)19-13/h1-9H,(H,19,21)
InChIKeyBAFRAKZMLOOODT-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.91
Rot. Bonds1

About 2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one

2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 15209192) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID15209192
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=C1NC(c2ccccc2)(C(F)(F)F)N=C2C=CC=CN12
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)13(10-6-2-1-3-7-10)18-11-8-4-5-9-20(11)12(21)19-13/h1-9H,(H,19,21)
InChIKeyBAFRAKZMLOOODT-UHFFFAOYSA-N
XLogP2.91
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one (CID 15209192) is 2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one is O=C1NC(c2ccccc2)(C(F)(F)F)N=C2C=CC=CN12.
What is the InChIKey of 2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is BAFRAKZMLOOODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)13(10-6-2-1-3-7-10)18-11-8-4-5-9-20(11)12(21)19-13/h1-9H,(H,19,21).
What are the key properties of 2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one?
2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 293.25 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 15209192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).