Molecule

ID:63265

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄
Molecular Mass
124.14382
Exact Mass
124.07489628
Charge
0
InChI
InChI=1S/C5H8N4/c6-9-3-5-1-7-4-8-2-5/h1-2,4,9H,3,6H2
InChIKey
FWSYLVSAXYNDJO-UHFFFAOYSA-N
Canonic Smiles
NNCc1cncnc1
Isomeric Smiles
c1ncc(cn1)CNN
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1352403
LogD (pH = 7.4)
-1.0109899
Log P
-1.0091516
Molar Refractivity
46.1726
Polarizability
13.230064
Polar Surface Area
63.83
Rotatable Bonds
2
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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