| CAS Number | 99347-08-7 |
| Catalog Number | AG019KW9(AGN-PC-00MR4H) |
| Chemical Name | 5-amino-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one |
| IUPAC Name | 5-amino-1-methylpyrazolo[3,4-d]pyrimidin-4-one |
| InChI | InChI=1S/C6H7N5O/c1-10-5-4(2-9-10)6(12)11(7)3-8-5/h2-3H,7H2,1H3 |
| InChI Key | TVKDNILWGVYQAU-UHFFFAOYSA-N |
| MDL Number | MFCD09802066 |
| Molecular Formula | C6H7N5O |
| Molecular Weight | 165.1527 |
| SMILES | CN1C2=C(C(N(C=N2)N)=O)C=N1 |
| Synonyms | 5-amino-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one,
99347-08-7,
5-amino-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one,
AC1Q40F8,
CTK7E9694,
ZINC12505823,
NE14440,
EN300-28784,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.156g/mol |
| Monoisotopic Mass | 165.065g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
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Certificate of Analysis
Lot Number