| CAS Number | 1105196-44-8 |
| Catalog Number | AG01ARV0(AGN-PC-0WCNMS) |
| Chemical Name | 1-tert-butyl-4-methyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one |
| IUPAC Name | 1-tert-butyl-4-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one |
| InChI | InChI=1S/C10H14N4O/c1-6-7-5-11-14(10(2,3)4)8(7)9(15)13-12-6/h5H,1-4H3,(H,13,15) |
| InChI Key | BZFQZARONURLLI-UHFFFAOYSA-N |
| MDL Number | MFCD11986544 |
| Molecular Formula | C10H14N4O |
| Molecular Weight | 206.2444 |
| SMILES | CC1C2=C(N(C(C)(C)C)N=C2)C(=O)NN=1 |
| Synonyms | 1-tert-butyl-4-methyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one,
1105196-44-8,
F2135-0812,
1-(tert-Butyl)-4-methyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one,
ZINC26421601,
AKOS005208105,
L-3001,
1-tert-butyl-4-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one,
1-tert-butyl-4-methyl-1H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one,
N/A,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.249g/mol |
| Monoisotopic Mass | 206.117g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number