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3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-amine

3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CAS: 83255-86-1

Formula: C5H4BrN5

SMILES: NC1=C2C(Br)=NNC2=NC=N1

IUPAC: 3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-amine

InChI: InChI=1S/C5H4BrN5/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1H,(H3,7,8,9,10,11)

Composition: C (28.06%), H (1.88%), Br (37.33%), N (32.72%)

Molar Mass: 214.026

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 212.965008
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey GZQVGSRUUTUJNG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.17
Topological Polar Surface Area 80.48
Polarizability 16.39
Ring Count 2
Rotatable Bond Count 0

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