| CAS Number | 1955523-82-6 |
| Catalog Number | AG01B1ZQ |
| Chemical Name | 3-iodo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine |
| IUPAC Name | 3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C6H8IN3/c7-5-4-9-10-3-1-2-8-6(5)10/h4,8H,1-3H2 |
| InChI Key | VBPMBLKWANECPJ-UHFFFAOYSA-N |
| MDL Number | MFCD29991544 |
| Molecular Formula | C6H8IN3 |
| Molecular Weight | 249.0523 |
| SMILES | IC1=C2N(CCCN2)N=C1 |
| Synonyms | 3-iodo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine,
1955523-82-6,
SCHEMBL18338409,
ZINC390822211,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.055g/mol |
| Monoisotopic Mass | 248.976g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number