Molecule
ID:57583
General Information
Molecular Formula
C₄H₆N₄O
Molecular Mass
126.11664
Exact Mass
126.05416083
Charge
0
InChI
InChI=1S/C4H6N4O/c5-7-4(9)3-1-2-6-8-3/h1-2H,5H2,(H,6,8)(H,7,9)
InChIKey
VWOQOMNXHWAQMJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccn[nH]1
Isomeric Smiles
[nH]1c(ccn1)C(=O)NN
Calculated Properties
JChem
Acid pKa
9.012488
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.2494217
LogD (pH = 7.4)
-1.2586291
Log P
-1.2484045
Molar Refractivity
33.1854
Polarizability
11.491709
Polar Surface Area
83.8
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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