Home > Compound List > Compound details
6752-16-5 molecular structure
click picture or here to close

1H-pyrazolo[3,4-b]pyridin-3-amine

ChemBase ID: 24771
Molecular Formular: C6H6N4
Molecular Mass: 134.13864
Monoisotopic Mass: 134.05924621
SMILES and InChIs

SMILES:
n1[nH]c2c(c1N)cccn2
Canonical SMILES:
Nc1n[nH]c2c1cccn2
InChI:
InChI=1S/C6H6N4/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H3,7,8,9,10)
InChIKey:
LUAQTQAFUORQHV-UHFFFAOYSA-N

Cite this record

CBID:24771 http://www.chembase.cn/molecule-24771.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-pyrazolo[3,4-b]pyridin-3-amine
IUPAC Traditional name
1H-pyrazolo[3,4-b]pyridin-3-amine
Synonyms
1H-Pyrazolo[3,4-b]pyridine-3-amine
3-Amino-7-azaindazole
1H-Pyrazolo[3,4-b]pyridin-3-ylamine
3-Aminopyrazolo[3,4-b]pyridine
NSC 48665
1H-Pyrazolo[3,4-b]pyridin-3-amine
1H-Pyrazolo[3,4-b]pyridin-3-amine
3-Amino-1H-pyrazolo[3,4-b]pyridine
CAS Number
6752-16-5
MDL Number
MFCD20502652
MFCD04113611
PubChem SID
160988078
PubChem CID
241369

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.698795  H Acceptors
H Donor LogD (pH = 5.5) 0.20997001 
LogD (pH = 7.4) 0.21160795  Log P 0.2116289 
Molar Refractivity 38.8827 cm3 Polarizability 14.211187 Å3
Polar Surface Area 67.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
187-192 °C expand Show data source
188-190°C expand Show data source
189 - 192 °C expand Show data source
Hydrophobicity(logP)
0.58 expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
25 expand Show data source
Safety Statements
45 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301 expand Show data source
GHS Precautionary statements
P301 + P310 expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H6N4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 729469 external link
Packaging
500 mg in glass bottle

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