| CAS Number | 926270-56-6 |
| Catalog Number | AG019UK7 |
| Chemical Name | 6-(4-Fluorophenyl)-4-methyl-1H,6H-[1,2]diazolo[3,4-c]pyrazol-3-amine |
| IUPAC Name | 6-(4-fluorophenyl)-4-methyl-2H-pyrazolo[3,4-c]pyrazol-3-amine |
| InChI | InChI=1S/C11H10FN5/c1-6-9-10(13)14-15-11(9)17(16-6)8-4-2-7(12)3-5-8/h2-5H,1H3,(H3,13,14,15) |
| InChI Key | PLRTTWDTZJYJGV-UHFFFAOYSA-N |
| MDL Number | MFCD09042032 |
| Molecular Formula | C11H10FN5 |
| Molecular Weight | 231.2290 |
| SMILES | CC1C2=C(NN=C2N)N(C2=CC=C(F)C=C2)N=1 |
| Synonyms | 6-(4-fluorophenyl)-4-methyl-1H,6H-[1,2]diazolo[3,4-c]pyrazol-3-amine,
926270-56-6,
AC1Q2PQ1,
CHEMBL3454713,
CTK7C0782,
CTK8F6990,
ZINC21950293,
AKOS000124016,
MCULE-3300732993,
NE54211,
EN300-41938,
AB01000129-01,
Z425485050,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.234g/mol |
| Monoisotopic Mass | 231.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 72.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number