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20865-26-3 molecular structure
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4-aminopyridazine-3-carbonitrile

ChemBase ID: 797640
Molecular Formular: C5H4N4
Molecular Mass: 120.11206
Monoisotopic Mass: 120.04359615
SMILES and InChIs

SMILES:
n1nc(c(cc1)N)C#N
Canonical SMILES:
N#Cc1nnccc1N
InChI:
InChI=1S/C5H4N4/c6-3-5-4(7)1-2-8-9-5/h1-2H,(H2,7,8)
InChIKey:
YNFPHUZEKFZAMU-UHFFFAOYSA-N

Cite this record

CBID:797640 http://www.chembase.cn/molecule-797640.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-aminopyridazine-3-carbonitrile
IUPAC Traditional name
4-aminopyridazine-3-carbonitrile
Synonyms
4-AMinopyridazine-3-carbonitrile
CAS Number
20865-26-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9305 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9305 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8113925  LogD (pH = 7.4) -0.81117874 
Log P -0.811176  Molar Refractivity 33.8144 cm3
Polarizability 11.550099 Å3 Polar Surface Area 75.59 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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