| CAS Number | 1559062-11-1 |
| Catalog Number | AG00J2YV(AGN-PC-0WRASG) |
| Chemical Name | 5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-amine hydrochloride |
| IUPAC Name | 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine;hydrochloride |
| InChI | InChI=1S/C9H10N4O.ClH/c1-14-7-4-2-6(3-5-7)8-11-9(10)13-12-8;/h2-5H,1H3,(H3,10,11,12,13);1H |
| InChI Key | VJIPAWYVBULUJD-UHFFFAOYSA-N |
| MDL Number | MFCD27966295 |
| Molecular Formula | C9H11ClN4O |
| Molecular Weight | 226.6628 |
| SMILES | N1C(N)=NN=C1C1=CC=C(C=C1)OC.Cl |
| Synonyms | 5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-amine hydrochloride,
1559062-11-1,
ZX-CM010934,
MFCD27966295,
AKOS030631239,
A-7061,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.664g/mol |
| Monoisotopic Mass | 226.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number