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4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine

4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine

CAS: 100644-65-3

Formula: C5H4ClN5

SMILES: NC1=NC2=NNC=C2C(Cl)=N1

IUPAC: 4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine

InChI: InChI=1S/C5H4ClN5/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H3,7,8,9,10,11)

Composition: C (35.42%), H (2.38%), Cl (20.91%), N (41.30%)

Molar Mass: 169.57

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 169.0155228
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ASKOHPBJRRSUSJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.57
Topological Polar Surface Area 80.48
Polarizability 15.37
Ring Count 2
Rotatable Bond Count 0

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