Molecule

ID:67099

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₄
Molecular Mass
122.12794
Exact Mass
122.05924621
Charge
0
InChI
InChI=1S/C5H6N4/c1-9-3-4(2-6)5(7)8-9/h3H,1H3,(H2,7,8)
InChIKey
FBQOIRKIQMQJNS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cn(nc1N)C
Isomeric Smiles
n1(nc(c(c1)C#N)N)C
Calculated Properties
JChem
Acid pKa
18.21015
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.02176484
LogD (pH = 7.4)
0.022721428
Log P
0.022733638
Molar Refractivity
45.6969
Polarizability
11.894719
Polar Surface Area
67.63
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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