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

C19H20N4O2S — CID 154740389

IUPAC7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCS(=O)(=O)c1ccccc1N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C19H20N4O2S/c1-2-26(24,25)17-11-7-6-10-16(17)22-12-13-23-18(14-22)20-21-19(23)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKeyISNNAQNAQBJBGK-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.76
Rot. Bonds4

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

7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 154740389) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID154740389
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCS(=O)(=O)c1ccccc1N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C19H20N4O2S/c1-2-26(24,25)17-11-7-6-10-16(17)22-12-13-23-18(14-22)20-21-19(23)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKeyISNNAQNAQBJBGK-UHFFFAOYSA-N
XLogP2.76
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(2-ethylsulfonylphenyl)-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-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 154740389) is 7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCS(=O)(=O)c1ccccc1N1CCn2c(nnc2-c2ccccc2)C1.
What is the InChIKey of 7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ISNNAQNAQBJBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-26(24,25)17-11-7-6-10-16(17)22-12-13-23-18(14-22)20-21-19(23)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3.
What are the key properties of 7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 368.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylsulfonylphenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 154740389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).