| CAS Number | 1609401-01-5 |
| Catalog Number | AG00J2CZ |
| Chemical Name | 3-propyl-1H-1,2,4-triazole hydrochloride |
| IUPAC Name | 5-propyl-1H-1,2,4-triazole;hydrochloride |
| InChI | InChI=1S/C5H9N3.ClH/c1-2-3-5-6-4-7-8-5;/h4H,2-3H2,1H3,(H,6,7,8);1H |
| InChI Key | IHBLZFXCRQUDJM-UHFFFAOYSA-N |
| MDL Number | MFCD26959460 |
| Molecular Formula | C5H10ClN3 |
| Molecular Weight | 147.606 |
| SMILES | N1=CNN=C1CCC.Cl |
| Synonyms | 3-Propyl-1H-1,2,4-triazole hydrochloride,
1609401-01-5,
ZX-CM009100,
MFCD26959460,
19932-60-6,
|
| Complexity | 64.7 |
| 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 | 2 |
| 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