Molecule

ID:57431

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-3-7(4-2)11-8(9)5-6-10-11/h5-7H,3-4,9H2,1-2H3
InChIKey
QBYQURHAANTNOY-UHFFFAOYSA-N
Canonic Smiles
CCC(n1nccc1N)CC
Isomeric Smiles
n1(c(ccn1)N)C(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4764005
LogD (pH = 7.4)
1.4798545
Log P
1.4798987
Molar Refractivity
57.1305
Polarizability
17.395042
Polar Surface Area
43.84
Rotatable Bonds
3
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
References
Bioactivity
Navigation
CAS 90206-24-9|1-(pentan-3-yl)-1H-pyrazol-5-amine|1-(1-Ethylpropyl)-1H-pyrazol-5-amine|2-(pentan-3-yl)pyrazol-3-amine | Molfinder