Molecule
ID:86774
General Information
Molecular Formula
C₅H₇N₅
Molecular Mass
137.14258
Exact Mass
137.07014525
Charge
0
InChI
InChI=1S/C5H7N5/c6-5(10-7)4-3-8-1-2-9-4/h1-3H,7H2,(H2,6,10)
InChIKey
JNVGYAKLZAAYHJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=N)c1cnccn1
Isomeric Smiles
n1c(cncc1)C(=N)NN
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.1554456
LogD (pH = 7.4)
-1.4134438
Log P
-1.3874226
Molar Refractivity
58.0216
Polarizability
13.681907
Polar Surface Area
87.68
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
No Data Available
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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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