| CAS Number | 875215-47-7 |
| Catalog Number | AG00IENN(AGN-PC-0WR490) |
| Chemical Name | 1h-Pyrazolo[3,4-d]pyrimidin-3-amine |
| IUPAC Name | 2H-pyrazolo[3,4-d]pyrimidin-3-amine |
| InChI | InChI=1S/C5H5N5/c6-4-3-1-7-2-8-5(3)10-9-4/h1-2H,(H3,6,7,8,9,10) |
| InChI Key | KFVFSHVEAMTYFQ-UHFFFAOYSA-N |
| MDL Number | MFCD14713511 |
| Molecular Formula | C5H5N5 |
| Molecular Weight | 135.1267 |
| SMILES | Nc1n[nH]c2c1cncn2 |
| Synonyms | 1h-pyrazolo[3,4-d]pyrimidin-3-amine,
875215-47-7,
SCHEMBL1321549,
SCHEMBL8328800,
3-Amino-5,7-diaza-1H-indazole,
KFVFSHVEAMTYFQ-UHFFFAOYSA-N,
3-aminopyrazolo-[3,4-d]pyrimidine,
ZINC13362450,
2H-pyrazolo[3,4-d]pyrimidin-3-amine,
MCULE-6409054729,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.13g/mol |
| Monoisotopic Mass | 135.054g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number