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

C15H17F3N4O4S — CID 91957030

IUPAC7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(S(=O)(=O)N2CCn3c(nnc3C(F)(F)F)C2C)cc1OC
InChIInChI=1S/C15H17F3N4O4S/c1-9-13-19-20-14(15(16,17)18)21(13)6-7-22(9)27(23,24)10-4-5-11(25-2)12(8-10)26-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyKRFOZAHRZHLERO-UHFFFAOYSA-N
MW406.39 g/mol
LogP2.08
Rot. Bonds4

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

7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 91957030) has the molecular formula C15H17F3N4O4S and a molecular weight of 406.39 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID91957030
Molecular FormulaC15H17F3N4O4S
Molecular Weight406.39 g/mol
Exact Mass406.09
IUPAC Name7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(S(=O)(=O)N2CCn3c(nnc3C(F)(F)F)C2C)cc1OC
InChIInChI=1S/C15H17F3N4O4S/c1-9-13-19-20-14(15(16,17)18)21(13)6-7-22(9)27(23,24)10-4-5-11(25-2)12(8-10)26-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyKRFOZAHRZHLERO-UHFFFAOYSA-N
XLogP2.08
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(3,4-dimethoxyphenyl)sulfonyl-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

Related Compounds

7-(benzenesulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 91957048
7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 91956972
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
(4aS,8aS)-1-(3,4-dimethoxyphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926545
(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 26821437
(4R)-5-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 41187095
(3S,8aS)-2-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137337513
[(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124688215
3-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 47002052
3-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92894002
(2R)-2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylazepane
CID 95079108
(1S)-2-(4-fluorophenyl)sulfonyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 6975909

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 91957030) is 7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is COc1ccc(S(=O)(=O)N2CCn3c(nnc3C(F)(F)F)C2C)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KRFOZAHRZHLERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O4S/c1-9-13-19-20-14(15(16,17)18)21(13)6-7-22(9)27(23,24)10-4-5-11(25-2)12(8-10)26-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 406.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 91957030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).