7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C13H13F3N4O2S — CID 91957048

IUPAC7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1c2nnc(C(F)(F)F)n2CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13F3N4O2S/c1-9-11-17-18-12(13(14,15)16)19(11)7-8-20(9)23(21,22)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyMUSDOJZXXSSGNN-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.06
Rot. Bonds2

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

7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 91957048) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID91957048
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC Name7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1c2nnc(C(F)(F)F)n2CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13F3N4O2S/c1-9-11-17-18-12(13(14,15)16)19(11)7-8-20(9)23(21,22)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyMUSDOJZXXSSGNN-UHFFFAOYSA-N
XLogP2.06
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-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-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 91957048) is 7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC1c2nnc(C(F)(F)F)n2CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MUSDOJZXXSSGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c1-9-11-17-18-12(13(14,15)16)19(11)7-8-20(9)23(21,22)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 346.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 91957048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).