3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine

C18H12F2N4O — CID 66850019

IUPAC3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12
InChIInChI=1S/C18H12F2N4O/c19-17(20)18-23-22-16-10-21-15(11-24(16)18)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13/h1-11,17H
InChIKeyXEEYUEXQABNTIH-UHFFFAOYSA-N
MW338.32 g/mol
LogP4.52
Rot. Bonds4

About 3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine

3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 66850019) has the molecular formula C18H12F2N4O and a molecular weight of 338.32 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID66850019
Molecular FormulaC18H12F2N4O
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12
InChIInChI=1S/C18H12F2N4O/c19-17(20)18-23-22-16-10-21-15(11-24(16)18)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13/h1-11,17H
InChIKeyXEEYUEXQABNTIH-UHFFFAOYSA-N
XLogP4.52
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 66850019) is 3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.
What is the InChIKey of 3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XEEYUEXQABNTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O/c19-17(20)18-23-22-16-10-21-15(11-24(16)18)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13/h1-11,17H.
What are the key properties of 3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 338.32 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 66850019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).