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6653-91-4 molecular structure
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imidazo[1,2-b]pyridazin-6-ylhydrazine

ChemBase ID: 71935
Molecular Formular: C6H7N5
Molecular Mass: 149.15328
Monoisotopic Mass: 149.07014525
SMILES and InChIs

SMILES:
c1(ccc2n(n1)ccn2)NN
Canonical SMILES:
NNc1ccc2n(n1)ccn2
InChI:
InChI=1S/C6H7N5/c7-9-5-1-2-6-8-3-4-11(6)10-5/h1-4H,7H2,(H,9,10)
InChIKey:
BSOZJUHUDHIRSI-UHFFFAOYSA-N

Cite this record

CBID:71935 http://www.chembase.cn/molecule-71935.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
imidazo[1,2-b]pyridazin-6-ylhydrazine
IUPAC Traditional name
imidazo[1,2-b]pyridazin-6-ylhydrazine
Synonyms
6-Hydrazinoimidazo[1,2-b]pyridazine
CAS Number
6653-91-4
MDL Number
MFCD19201317
PubChem SID
162104140
PubChem CID
322295

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 322295 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.306358  H Acceptors
H Donor LogD (pH = 5.5) 0.6009964 
LogD (pH = 7.4) 0.6385728  Log P 0.6390728 
Molar Refractivity 53.7938 cm3 Polarizability 14.967674 Å3
Polar Surface Area 68.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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