Molecule
ID:24294
General Information
Molecular Formula
C₉H₁₄N₄O
Molecular Mass
194.23366
Exact Mass
194.11676109
Charge
0
InChI
InChI=1S/C9H14N4O/c10-13-9(14)3-5-12-7-8-2-1-4-11-6-8/h1-2,4,6,12H,3,5,7,10H2,(H,13,14)
InChIKey
AAFLSWRTWXIYPT-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCNCc1cccnc1
Isomeric Smiles
C(=O)(CCNCc1cnccc1)NN
Calculated Properties
JChem
Acid pKa
12.579789
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.9748836
LogD (pH = 7.4)
-2.3498328
Log P
-1.0745001
Molar Refractivity
54.2394
Polarizability
20.955114
Polar Surface Area
80.04
Rotatable Bonds
5
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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