| CAS Number | 1208632-34-1 |
| Catalog Number | AG01EK4M |
| Chemical Name | 3-methyl-7H-pyrazolo[3,4-b]pyridine-5-carbohydrazide |
| IUPAC Name | 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbohydrazide |
| InChI | InChI=1S/C8H9N5O/c1-4-6-2-5(8(14)11-9)3-10-7(6)13-12-4/h2-3H,9H2,1H3,(H,11,14)(H,10,12,13) |
| InChI Key | OXPDNXMPZBNLPB-UHFFFAOYSA-N |
| MDL Number | MFCD13196057 |
| Molecular Formula | C8H9N5O |
| Molecular Weight | 191.19 |
| SMILES | CC1C2C(NC=C(C(NN)=O)C=2)=NN=1 |
| Synonyms | 3-methyl-7H-pyrazolo[3,4-b]pyridine-5-carbohydrazide,
3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbohydrazide,
1208632-34-1,
AC1Q2Q6N,
CTK7E9966,
ZINC38342312,
AKOS006238597,
NE50251,
EN300-54411,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.194g/mol |
| Monoisotopic Mass | 191.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 96.7A^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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