7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C18H12F2N4OS — CID 50804696

IUPAC7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESO=c1c2nnc(SCc3ccc(F)cc3)n2ccn1-c1ccc(F)cc1
InChIInChI=1S/C18H12F2N4OS/c19-13-3-1-12(2-4-13)11-26-18-22-21-16-17(25)23(9-10-24(16)18)15-7-5-14(20)6-8-15/h1-10H,11H2
InChIKeyWLSWFTLBKZRQGD-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.45
Rot. Bonds4

About 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 50804696) has the molecular formula C18H12F2N4OS and a molecular weight of 370.38 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID50804696
Molecular FormulaC18H12F2N4OS
Molecular Weight370.38 g/mol
Exact Mass370.07
IUPAC Name7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESO=c1c2nnc(SCc3ccc(F)cc3)n2ccn1-c1ccc(F)cc1
InChIInChI=1S/C18H12F2N4OS/c19-13-3-1-12(2-4-13)11-26-18-22-21-16-17(25)23(9-10-24(16)18)15-7-5-14(20)6-8-15/h1-10H,11H2
InChIKeyWLSWFTLBKZRQGD-UHFFFAOYSA-N
XLogP3.45
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one 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 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 50804696) is 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one is O=c1c2nnc(SCc3ccc(F)cc3)n2ccn1-c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is WLSWFTLBKZRQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4OS/c19-13-3-1-12(2-4-13)11-26-18-22-21-16-17(25)23(9-10-24(16)18)15-7-5-14(20)6-8-15/h1-10H,11H2.
What are the key properties of 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 370.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 50804696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).