Molecule
ID:24380
General Information
Molecular Formula
C₆H₁₅N₃O
Molecular Mass
145.2028
Exact Mass
145.12151212
Charge
0
InChI
InChI=1S/C6H15N3O/c1-5(2)8-4-3-6(10)9-7/h5,8H,3-4,7H2,1-2H3,(H,9,10)
InChIKey
VOQHXEDSHYSPMW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCNC(C)C
Isomeric Smiles
C(=O)(CCNC(C)C)NN
Calculated Properties
JChem
Acid pKa
13.428728
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.0157957
LogD (pH = 7.4)
-3.1488025
Log P
-0.8079178
Molar Refractivity
40.9511
Polarizability
15.947194
Polar Surface Area
67.15
Rotatable Bonds
4
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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