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160568-14-9 molecular structure
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1H-imidazo[4,5-d]pyridazin-2-amine

ChemBase ID: 306225
Molecular Formular: C5H5N5
Molecular Mass: 135.1267
Monoisotopic Mass: 135.05449519
SMILES and InChIs

SMILES:
n1ncc2c(c1)nc([nH]2)N
Canonical SMILES:
Nc1nc2c([nH]1)cnnc2
InChI:
InChI=1S/C5H5N5/c6-5-9-3-1-7-8-2-4(3)10-5/h1-2H,(H3,6,9,10)
InChIKey:
BUYBPEINWQQOFV-UHFFFAOYSA-N

Cite this record

CBID:306225 http://www.chembase.cn/molecule-306225.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-imidazo[4,5-d]pyridazin-2-amine
IUPAC Traditional name
1H-imidazo[4,5-d]pyridazin-2-amine
Synonyms
Zarzissine
CAS Number
160568-14-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP03003
Data Source Data ID Price
BioBioPha
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.290981  H Acceptors
H Donor LogD (pH = 5.5) -1.1290227 
LogD (pH = 7.4) -1.0837225  Log P -1.0826143 
Molar Refractivity 36.8486 cm3 Polarizability 14.012418 Å3
Polar Surface Area 80.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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