1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide

C13H13N5O2S — CID 140679096

IUPAC1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide
SMILESCC(c1ccccc1)(c1cncc2nncn12)S(N)(=O)=O
InChIInChI=1S/C13H13N5O2S/c1-13(21(14,19)20,10-5-3-2-4-6-10)11-7-15-8-12-17-16-9-18(11)12/h2-9H,1H3,(H2,14,19,20)
InChIKeyGFQCFGLFFJLLRP-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.68
Rot. Bonds3

About 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide

1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide (PubChem CID 140679096) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide
PubChem CID140679096
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide
SMILESCC(c1ccccc1)(c1cncc2nncn12)S(N)(=O)=O
InChIInChI=1S/C13H13N5O2S/c1-13(21(14,19)20,10-5-3-2-4-6-10)11-7-15-8-12-17-16-9-18(11)12/h2-9H,1H3,(H2,14,19,20)
InChIKeyGFQCFGLFFJLLRP-UHFFFAOYSA-N
XLogP0.68
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methanesulfonamide
CID 49786348
US10479795, Example 131
CID 132260969
4-Fluoro-3-methyl-N-{[1,2,4]triazolo[4,3-A]pyridin-8-YL}benzene-1-sulfonamide
CID 53166624
N-[3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
CID 155516173
N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
CID 155534959
N-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
CID 155535106
N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
CID 155551106
N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide
CID 155558069
US10479795, Example 139
CID 132260252
US10479795, Example 154
CID 132261053
US10479795, Example 148
CID 132261179
US10479795, Example 164
CID 132261504

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide?
The IUPAC name of 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide (CID 140679096) is 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide.
What is the SMILES notation for 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide?
The canonical SMILES for 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide is CC(c1ccccc1)(c1cncc2nncn12)S(N)(=O)=O.
What is the InChIKey of 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide?
The InChIKey is GFQCFGLFFJLLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-13(21(14,19)20,10-5-3-2-4-6-10)11-7-15-8-12-17-16-9-18(11)12/h2-9H,1H3,(H2,14,19,20).
What are the key properties of 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide?
1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide has a molecular weight of 303.35 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide is sourced from PubChem (CID 140679096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).