| CAS Number | 1105196-46-0 |
| Catalog Number | AG01ARVU |
| Chemical Name | 1-tert-butyl-4-(propan-2-yl)-1H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one |
| IUPAC Name | 1-tert-butyl-4-propan-2-yl-6H-pyrazolo[3,4-d]pyridazin-7-one |
| InChI | InChI=1S/C12H18N4O/c1-7(2)9-8-6-13-16(12(3,4)5)10(8)11(17)15-14-9/h6-7H,1-5H3,(H,15,17) |
| InChI Key | LVDANKIJRLFMIV-UHFFFAOYSA-N |
| MDL Number | MFCD11986545 |
| Molecular Formula | C12H18N4O |
| Molecular Weight | 234.2975 |
| SMILES | CC(C1C2=C(N(C(C)(C)C)N=C2)C(=O)NN=1)C |
| Synonyms | 1105196-46-0,
1-tert-butyl-4-isopropyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one,
F2135-0813,
1-(tert-butyl)-4-isopropyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one,
ZINC26421605,
AKOS005207399,
MCULE-6123921584,
VU0494705-1,
1-tert-butyl-4-isopropyl-6H-pyrazolo[3,4-d]pyridazin-7-one,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.303g/mol |
| Monoisotopic Mass | 234.148g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number