Molecule structure of 1H-Pyrazolo[3,4-b]pyrazin-3-amine (CAS NO.81411-64-5):
IUPAC Name of 1H-Pyrazolo[3,4-b]pyrazin-3-amine (CAS NO.81411-64-5): 2H-Pyrazolo[3,4-b]pyrazin-3-amine
Molecular Weight: 135.1267 g/mol
Molecular Formula: C5H5N5
Density: 1.612 g/cm3
Index of Refraction: 1.837
Molar Refractivity: 37.03 cm3
Molar Volume: 83.8 cm3
Polarizability: 14.68 10-24cm3
Surface Tension: 122.7 dyne/cm
XLogP3-AA: -0.5
H-Bond Donor: 2
H-Bond Acceptor: 4
Tautomer Count: 10
Exact Mass: 135.054495
MonoIsotopic Mass: 135.054495
Topological Polar Surface Area: 80.5
Heavy Atom Count: 10
Complexity: 127
Canonical SMILES: C1=NC2=C(NN=C2N=C1)N
InChI: InChI=1S/C5H5N5/c6-4-3-5(10-9-4)8-2-1-7-3/h1-2H,(H3,6,8,9,10)
InChIKey of (CAS NO.81411-64-5): FPPZCGSFUJKIER-UHFFFAOYSA-N
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