| CAS Number | 1423031-88-2 |
| Catalog Number | AG01A1M5 |
| Chemical Name | 3-cyclobutyl-5-methyl-1H-1,2,4-triazole hydrochloride |
| IUPAC Name | 3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride |
| InChI | InChI=1S/C7H11N3.ClH/c1-5-8-7(10-9-5)6-3-2-4-6;/h6H,2-4H2,1H3,(H,8,9,10);1H |
| InChI Key | NQEWUHRAFSGOQE-UHFFFAOYSA-N |
| MDL Number | MFCD22421889 |
| Molecular Formula | C7H12ClN3 |
| Molecular Weight | 173.6433 |
| SMILES | Cl.CC1NN=C(C2CCC2)N=1 |
| Synonyms | 3-cyclobutyl-5-methyl-1H-1,2,4-triazole hydrochloride,
1423031-88-2,
AKOS016906399,
MCULE-2852601861,
NE24665,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.644g/mol |
| Monoisotopic Mass | 173.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number