Molecule

ID:27334

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄O
Molecular Mass
140.14322
Exact Mass
140.0698109
Charge
0
InChI
InChI=1S/C5H8N4O/c1-9-4(2-3-7-9)5(10)8-6/h2-3H,6H2,1H3,(H,8,10)
InChIKey
VLWFAOHNVSOWJK-UHFFFAOYSA-N
Canonic Smiles
Cn1nccc1C(=O)NN
Isomeric Smiles
c1(n(ncc1)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.898933
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1255935
LogD (pH = 7.4)
-1.1247394
Log P
-1.1247284
Molar Refractivity
48.4014
Polarizability
13.234921
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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