2-{1-methyl-4-oxo-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-5-yl}acetonitrile

Name: 2-{1-methyl-4-oxo-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-5-yl}acetonitrile
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CAS No. 1341558-50-6
Cat. No. CS-0243639
Molecule weight189.17
Purity≥98%
MDL No.None

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2-{1-methyl-4-oxo-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-5-yl}acetonitrile|CS-0243639

Structure of 1341558-50-6

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General Information

CAS No. 1341558-50-6
Cat. No. CS-0243639
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇N₅O
Molecular Weight 189.17
Synonym(s) None
SMILES N#CCN(C=NC1=C2C=NN1C)C2=O

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 76.5
LogP -0.34642
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2-{1-methyl-4-oxo-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-5-yl}acetonitrile

CAS No. 1341558-50-6

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