| CAS Number | 62597-87-9 |
| Catalog Number | AG00ITSD(AGN-PC-0KKREK) |
| Chemical Name | 4-(hydroxyamino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine |
| IUPAC Name | N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydroxylamine |
| InChI | InChI=1S/C6H7N5O/c1-11-6-4(2-9-11)5(10-12)7-3-8-6/h2-3,12H,1H3,(H,7,8,10) |
| InChI Key | SYXCCEBHPKLNCU-UHFFFAOYSA-N |
| MDL Number | MFCD05975009 |
| Molecular Formula | C6H7N5O |
| Molecular Weight | 165.1527 |
| SMILES | ONC1(=NC=NC2(=C1C=NN2C)) |
| Synonyms | 62597-87-9,
4-(hydroxyamino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine,
10X-0991,
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-hydroxy-1-methyl-,
N-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}hydroxylamine,
AC1MCCLC,
CTK2B6420,
KS-00001RGU,
DTXSID80377580,
ZINC4038440,
MFCD05975009,
AKOS005076824,
MCULE-6345879519,
N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydroxylamine,
ZINC04038440,
CID2766356,
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| Complexity | 166 |
| 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 | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.156g/mol |
| Monoisotopic Mass | 165.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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