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76006-17-2 molecular structure
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1H-pyrazolo[3,4-c]pyridin-3-amine

ChemBase ID: 89619
Molecular Formular: C6H6N4
Molecular Mass: 134.13864
Monoisotopic Mass: 134.05924621
SMILES and InChIs

SMILES:
n1ccc2c(c1)[nH]nc2N
Canonical SMILES:
Nc1n[nH]c2c1ccnc2
InChI:
InChI=1S/C6H6N4/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H3,7,9,10)
InChIKey:
LGZRIKTZAOPKET-UHFFFAOYSA-N

Cite this record

CBID:89619 http://www.chembase.cn/molecule-89619.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-pyrazolo[3,4-c]pyridin-3-amine
IUPAC Traditional name
1H-pyrazolo[3,4-c]pyridin-3-amine
Synonyms
1H-Pyrazolo[3,4-c]pyridin-3-amine
3-Amino-6-azaindole
3-Amino-1H-pyrazolo[3,4-c]pyridine
1H-Pyrazolo[3,4-c]pyridin-3-amine
CAS Number
76006-17-2
MDL Number
MFCD11656373
PubChem SID
162076484
PubChem CID
11018912

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11018912 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.626163  H Acceptors
H Donor LogD (pH = 5.5) -0.15782067 
LogD (pH = 7.4) -0.15585849  Log P -0.15583317 
Molar Refractivity 38.9301 cm3 Polarizability 14.884034 Å3
Polar Surface Area 67.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Keep Cold/Store under Argon expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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