Molecule

ID:57572

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄O
Molecular Mass
140.14322
Exact Mass
140.0698109
Charge
0
InChI
InChI=1S/C5H8N4O/c1-9-3-2-7-4(9)5(10)8-6/h2-3H,6H2,1H3,(H,8,10)
InChIKey
NHBUERBIIJQGGG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1nccn1C
Isomeric Smiles
c1cnc(n1C)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.117729
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9918745
LogD (pH = 7.4)
-0.98986614
Log P
-0.98983866
Molar Refractivity
36.9492
Polarizability
13.243692
Polar Surface Area
72.94
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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