| CAS Number | 52217-39-7 |
| Catalog Number | AG00I9CD(AGN-PC-0NJV7I) |
| Chemical Name | 3-Methyl-1-phenyl-1H-pyrazolo[3,4-D]pyrimidine |
| IUPAC Name | 3-methyl-1-phenylpyrazolo[3,4-d]pyrimidine |
| InChI | InChI=1S/C12H10N4/c1-9-11-7-13-8-14-12(11)16(15-9)10-5-3-2-4-6-10/h2-8H,1H3 |
| InChI Key | BTTKVIVWBIPDIH-UHFFFAOYSA-N |
| MDL Number | MFCD23703328 |
| Molecular Formula | C12H10N4 |
| Molecular Weight | 210.2346 |
| SMILES | CC1=NN(C2=C1C=NC=N2)C1=CC=CC=C1 |
| Synonyms | 3-METHYL-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE,
52217-39-7,
CTK1G3086,
DTXSID20506615,
MFCD23703328,
ZINC95643049,
AS-41549,
1-Phenyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidine,
1H-Pyrazolo[3,4-d]pyrimidine, 3-methyl-1-phenyl-,
3-methyl-1-phenylpyrazolo[3,4-d]pyrimidine,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.24g/mol |
| Monoisotopic Mass | 210.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number