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1228878-69-0 molecular structure
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1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine dihydrochloride

ChemBase ID: 294794
Molecular Formular: C7H13Cl2N3
Molecular Mass: 210.10422
Monoisotopic Mass: 209.04865279
SMILES and InChIs

SMILES:
Cn1ncc2c1CNCC2.Cl.Cl
Canonical SMILES:
Cn1ncc2c1CNCC2.Cl.Cl
InChI:
InChI=1S/C7H11N3.2ClH/c1-10-7-5-8-3-2-6(7)4-9-10;;/h4,8H,2-3,5H2,1H3;2*1H
InChIKey:
HJIOKUDPUDYTLF-UHFFFAOYSA-N

Cite this record

CBID:294794 http://www.chembase.cn/molecule-294794.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine dihydrochloride
IUPAC Traditional name
1-methyl-4H,5H,6H,7H-pyrazolo[3,4-c]pyridine dihydrochloride
Synonyms
1-Methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine dihydrochloride
CAS Number
1228878-69-0
MDL Number
MFCD09028172
PubChem SID
180680325
PubChem CID
70701198

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD24610 Please log in.
Data Source Data ID
PubChem 70701198 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7598805  LogD (pH = 7.4) -1.0453588 
Log P -0.080655664  Molar Refractivity 51.3965 cm3
Polarizability 15.135336 Å3 Polar Surface Area 29.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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