| CAS Number | 1381532-73-5 |
| Catalog Number | AG01C2MZ |
| Chemical Name | 1-methyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-4-one |
| IUPAC Name | 1-methyl-5,6,7,8-tetrahydropyrazolo[4,3-c]azepin-4-one |
| InChI | InChI=1S/C8H11N3O/c1-11-7-3-2-4-9-8(12)6(7)5-10-11/h5H,2-4H2,1H3,(H,9,12) |
| InChI Key | LHMKPVNPKPVMJV-UHFFFAOYSA-N |
| MDL Number | MFCD28517553 |
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.1924 |
| SMILES | CN1C2=C(C(NCCC2)=O)C=N1 |
| Synonyms | 1381532-73-5,
1-methyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-4-one,
ZINC72398441,
AKOS024053117,
Z2293604761,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.196g/mol |
| Monoisotopic Mass | 165.09g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number