Molecule

ID:63517

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄
Molecular Mass
124.14382
Exact Mass
124.07489628
Charge
0
InChI
InChI=1S/C5H8N4/c6-2-4-1-5(7)9-3-8-4/h1,3H,2,6H2,(H2,7,8,9)
InChIKey
HPZBMZFZIAACAU-UHFFFAOYSA-N
Canonic Smiles
NCc1ncnc(c1)N
Isomeric Smiles
n1c(cc(nc1)CN)N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.6534104
LogD (pH = 7.4)
-2.0367377
Log P
-0.97749263
Molar Refractivity
35.6874
Polarizability
13.043226
Polar Surface Area
77.82
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
No Data Available
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Molecule Details
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References
Bioactivity
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