7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C18H16F2N4O2S — CID 133327632

IUPAC7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESO=S(=O)(c1ccccc1N1CCn2c(nnc2-c2ccccc2)C1)C(F)F
InChIInChI=1S/C18H16F2N4O2S/c19-18(20)27(25,26)15-9-5-4-8-14(15)23-10-11-24-16(12-23)21-22-17(24)13-6-2-1-3-7-13/h1-9,18H,10-12H2
InChIKeyYCWHPZSBLRFEMD-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.96
Rot. Bonds4

About 7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 133327632) has the molecular formula C18H16F2N4O2S and a molecular weight of 390.42 g/mol. Its IUPAC name is 7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID133327632
Molecular FormulaC18H16F2N4O2S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESO=S(=O)(c1ccccc1N1CCn2c(nnc2-c2ccccc2)C1)C(F)F
InChIInChI=1S/C18H16F2N4O2S/c19-18(20)27(25,26)15-9-5-4-8-14(15)23-10-11-24-16(12-23)21-22-17(24)13-6-2-1-3-7-13/h1-9,18H,10-12H2
InChIKeyYCWHPZSBLRFEMD-UHFFFAOYSA-N
XLogP2.96
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[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 7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 133327632) is 7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is O=S(=O)(c1ccccc1N1CCn2c(nnc2-c2ccccc2)C1)C(F)F.
What is the InChIKey of 7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YCWHPZSBLRFEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2S/c19-18(20)27(25,26)15-9-5-4-8-14(15)23-10-11-24-16(12-23)21-22-17(24)13-6-2-1-3-7-13/h1-9,18H,10-12H2.
What are the key properties of 7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 390.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(difluoromethylsulfonyl)phenyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 133327632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).