| CAS Number | 1311315-31-7 |
| Catalog Number | AG01AHJI |
| Chemical Name | 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-1,2,4-triazole hydrochloride |
| IUPAC Name | 3,5-dimethyl-1-prop-2-ynyl-1,2,4-triazole;hydrochloride |
| InChI | InChI=1S/C7H9N3.ClH/c1-4-5-10-7(3)8-6(2)9-10;/h1H,5H2,2-3H3;1H |
| InChI Key | IIWPYLPPVDMWNW-UHFFFAOYSA-N |
| MDL Number | MFCD18785495 |
| Molecular Formula | C7H10ClN3 |
| Molecular Weight | 171.6274 |
| SMILES | Cl.CC1=NN(CC#C)C(C)=N1 |
| Synonyms | 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-1,2,4-triazole hydrochloride,
1311315-31-7,
NE38468,
EN300-74941,
Z1259155927,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.628g/mol |
| Monoisotopic Mass | 171.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number