Molecule

ID:70682

General Information
Structure
Molecular Formula
C₅H₈N₄
Molecular Mass
124.14382
Exact Mass
124.07489628
Charge
0
InChI
InChI=1S/C5H8N4/c1-4-2-8-5(9-6)3-7-4/h2-3H,6H2,1H3,(H,8,9)
InChIKey
YKQUFARIFDGGNF-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(cn1)NN
Isomeric Smiles
c1(cnc(cn1)C)NN
Calculated Properties
JChem
Acid pKa
19.192913
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.3550773
LogD (pH = 7.4)
-0.34476182
Log P
-0.34462872
Molar Refractivity
36.3559
Polarizability
12.872415
Polar Surface Area
63.83
Rotatable Bonds
1
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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