structure of N-(4-chlorobenzyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

N-(4-chlorobenzyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

CAS No.: 100123-81-7
M. Wt: 259.69400
M. Fa: C12H10ClN5
InChI Key: HIJAYGQGZJIOQK-UHFFFAOYSA-N

Names and Identifiers of 100123-81-7

CAS Number

100123-81-7

IUPAC Name

N-[(4-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

InChI

InChI=1S/C12H10ClN5/c13-9-3-1-8(2-4-9)5-14-11-10-6-17-18-12(10)16-7-15-11/h1-4,6-7H,5H2,(H2,14,15,16,17,18)

InChIKey

HIJAYGQGZJIOQK-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=CC=C1CNC2=NC=NC3=C2C=NN3)Cl

Physical and chemical properties of 100123-81-7

Exact Mass

259.06200

LogP

2.69140

Molecular Formula

C12H10ClN5

Molecular Weight

259.69400

PSA

66.49000