| CAS Number | 1087784-31-3 |
| Catalog Number | AG019MR3 |
| Chemical Name | 1-(2-aminophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one |
| IUPAC Name | 1-(2-aminophenyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one |
| InChI | InChI=1S/C11H9N5O/c12-8-3-1-2-4-9(8)16-10-7(5-15-16)11(17)14-6-13-10/h1-6H,12H2,(H,13,14,17) |
| InChI Key | STJKZRWNDZEFGO-UHFFFAOYSA-N |
| MDL Number | MFCD11099478 |
| Molecular Formula | C11H9N5O |
| Molecular Weight | 227.2221 |
| SMILES | NC1=C(N2C3=C(C(NC=N3)=O)C=N2)C=CC=C1 |
| Synonyms | 1-(2-aminophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one,
1087784-31-3,
1-(2-aminophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one,
AC1Q529W,
CTK7D9598,
CTK8F2651,
ZINC32627163,
AKOS034259797,
MCULE-4345023758,
NE14870,
EN300-37024,
Z381357636,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.227g/mol |
| Monoisotopic Mass | 227.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 85.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number