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

C18H18N4O2S — CID 133327389

IUPAC7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCS(=O)(=O)c1ccccc1N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C18H18N4O2S/c1-25(23,24)16-10-6-5-9-15(16)21-11-12-22-17(13-21)19-20-18(22)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
InChIKeyVFQVJPGRFUOBBN-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.37
Rot. Bonds3

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

7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 133327389) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID133327389
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCS(=O)(=O)c1ccccc1N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C18H18N4O2S/c1-25(23,24)16-10-6-5-9-15(16)21-11-12-22-17(13-21)19-20-18(22)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
InChIKeyVFQVJPGRFUOBBN-UHFFFAOYSA-N
XLogP2.37
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 133327389) is 7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CS(=O)(=O)c1ccccc1N1CCn2c(nnc2-c2ccccc2)C1.
What is the InChIKey of 7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VFQVJPGRFUOBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-25(23,24)16-10-6-5-9-15(16)21-11-12-22-17(13-21)19-20-18(22)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3.
What are the key properties of 7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 354.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 133327389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).