| CAS Number | 1306604-72-7 |
| Catalog Number | AG01AIDM(AGN-PC-0WO95F) |
| Chemical Name | 5-ethyl-3-methyl-1H-1,2,4-triazole hydrochloride |
| IUPAC Name | 3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride |
| InChI | InChI=1S/C5H9N3.ClH/c1-3-5-6-4(2)7-8-5;/h3H2,1-2H3,(H,6,7,8);1H |
| InChI Key | XKFNTSVSEQAMEF-UHFFFAOYSA-N |
| MDL Number | MFCD18839017 |
| Molecular Formula | C5H10ClN3 |
| Molecular Weight | 147.6060 |
| SMILES | Cl.CCC1NN=C(C)N=1 |
| Synonyms | 5-ethyl-3-methyl-1H-1,2,4-triazole hydrochloride,
1306604-72-7,
AKOS008124769,
AKOS026729038,
MCULE-5124667453,
NE25536,
EN300-77501,
|
| Complexity | 74.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.606g/mol |
| Monoisotopic Mass | 147.056g/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