Molecule

ID:15880

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₅O
Molecular Mass
221.259
Exact Mass
221.12766013
Charge
0
InChI
InChI=1S/C10H15N5O/c11-14-9(16)8-3-1-6-15(7-8)10-12-4-2-5-13-10/h2,4-5,8H,1,3,6-7,11H2,(H,14,16)
InChIKey
OFEDUSPNRUVVJA-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CCCN(C1)c1ncccn1
Isomeric Smiles
C1C(CN(CC1)c1ncccn1)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.265587
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.04255066
LogD (pH = 7.4)
-0.037899874
Log P
-0.037834864
Molar Refractivity
61.6311
Polarizability
22.663677
Polar Surface Area
84.14
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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