Molecule

ID:41572

General Information
Structure
Molecular Formula
C₅H₆N₄
Molecular Mass
122.12794
Exact Mass
122.05924621
Charge
0
InChI
InChI=1S/C5H6N4/c1-9-5(7)4(2-6)3-8-9/h3H,7H2,1H3
InChIKey
MZFBWODPTSTYAI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnn(c1N)C
Isomeric Smiles
n1n(c(c(c1)C#N)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.48279983
LogD (pH = 7.4)
-0.4824375
Log P
-0.48243287
Molar Refractivity
44.6367
Polarizability
11.900646
Polar Surface Area
67.63
Rotatable Bonds
0
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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