(2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one

C14H9ClF3N3O — CID 2302879

IUPAC(2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=C1N[C@@](c2ccccc2)(C(F)(F)F)N=C2C=CC(Cl)=CN12
InChIInChI=1S/C14H9ClF3N3O/c15-10-6-7-11-19-13(14(16,17)18,9-4-2-1-3-5-9)20-12(22)21(11)8-10/h1-8H,(H,20,22)/t13-/m0/s1
InChIKeyWKFXFQQOIVWMTI-ZDUSSCGKSA-N
MW327.69 g/mol
LogP3.48
Rot. Bonds1

About (2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one

(2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 2302879) has the molecular formula C14H9ClF3N3O and a molecular weight of 327.69 g/mol. Its IUPAC name is (2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name(2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID2302879
Molecular FormulaC14H9ClF3N3O
Molecular Weight327.69 g/mol
Exact Mass327.04
IUPAC Name(2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=C1N[C@@](c2ccccc2)(C(F)(F)F)N=C2C=CC(Cl)=CN12
InChIInChI=1S/C14H9ClF3N3O/c15-10-6-7-11-19-13(14(16,17)18,9-4-2-1-3-5-9)20-12(22)21(11)8-10/h1-8H,(H,20,22)/t13-/m0/s1
InChIKeyWKFXFQQOIVWMTI-ZDUSSCGKSA-N
XLogP3.48
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of (2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one (CID 2302879) is (2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for (2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for (2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one is O=C1N[C@@](c2ccccc2)(C(F)(F)F)N=C2C=CC(Cl)=CN12.
What is the InChIKey of (2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is WKFXFQQOIVWMTI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H9ClF3N3O/c15-10-6-7-11-19-13(14(16,17)18,9-4-2-1-3-5-9)20-12(22)21(11)8-10/h1-8H,(H,20,22)/t13-/m0/s1.
What are the key properties of (2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one?
(2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 327.69 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-chloro-2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 2302879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).