| CAS Number | 404586-53-4 |
| Catalog Number | AG01DWET |
| Chemical Name | 1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| IUPAC Name | 1-ethylpyrazolo[3,4-d]pyrimidin-4-amine |
| InChI | InChI=1S/C7H9N5/c1-2-12-7-5(3-11-12)6(8)9-4-10-7/h3-4H,2H2,1H3,(H2,8,9,10) |
| InChI Key | ZKQQZCHGRXLMOI-UHFFFAOYSA-N |
| MDL Number | MFCD17270455 |
| Molecular Formula | C7H9N5 |
| Molecular Weight | 163.1799 |
| SMILES | CCN1C2=C(C(=NC=N2)N)C=N1 |
| Synonyms | 1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine,
404586-53-4,
SCHEMBL11981833,
CTK4F0662,
AKOS008967307,
1H-Pyrazolo[3,4-d]pyrimidin-4-amine,N-ethyl-,
23002-56-4,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.184g/mol |
| Monoisotopic Mass | 163.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
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