Home > Compound List > Compound details
MFCD08444314 molecular structure
click picture or here to close

N,N-diethyl-3-sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

ChemBase ID: 252421
Molecular Formular: C10H14N4O2S2
Molecular Mass: 286.37376
Monoisotopic Mass: 286.05581771
SMILES and InChIs

SMILES:
n12cc(S(=O)(=O)N(CC)CC)ccc2nnc1S
Canonical SMILES:
CCN(S(=O)(=O)c1ccc2n(c1)c(S)nn2)CC
InChI:
InChI=1S/C10H14N4O2S2/c1-3-13(4-2)18(15,16)8-5-6-9-11-12-10(17)14(9)7-8/h5-7H,3-4H2,1-2H3,(H,12,17)
InChIKey:
GPWPXEVSKLCWDD-UHFFFAOYSA-N

Cite this record

CBID:252421 http://www.chembase.cn/molecule-252421.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethyl-3-sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
IUPAC Traditional name
N,N-diethyl-3-sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
Synonyms
N,N-diethyl-3-mercapto[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
MDL Number
MFCD08444314
PubChem SID
164308331
PubChem CID
16227212

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-24704 external link Add to cart Please log in.
Data Source Data ID
PubChem 16227212 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.4049206  H Acceptors
H Donor LogD (pH = 5.5) 0.3383498 
LogD (pH = 7.4) 0.06077841  Log P 0.34355375 
Molar Refractivity 75.0842 cm3 Polarizability 28.179289 Å3
Polar Surface Area 67.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.021 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle