| CAS Number | 1609402-73-4 |
| Catalog Number | AG00J2IN |
| Chemical Name | (3-methyl-1H-1,2,4-triazol-5-yl)methanol hydrochloride |
| IUPAC Name | (5-methyl-1H-1,2,4-triazol-3-yl)methanol;hydrochloride |
| InChI | InChI=1S/C4H7N3O.ClH/c1-3-5-4(2-8)7-6-3;/h8H,2H2,1H3,(H,5,6,7);1H |
| InChI Key | VPPHNZAKAONLMO-UHFFFAOYSA-N |
| MDL Number | MFCD28024728 |
| Molecular Formula | C4H8ClN3O |
| Molecular Weight | 149.5788 |
| SMILES | N1C(C)=NNC=1CO.Cl |
| Synonyms | (3-Methyl-1H-1,2,4-triazol-5-yl)methanol hydrochloride,
1609402-73-4,
ZX-CM009780,
MFCD28024728,
4043449-25G,
(3-Methyl-1H-1,2,4-triazol-5-yl)methanol hydrochloride, AldrichCPR,
1183178-48-4,
|
| Complexity | 77.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.578g/mol |
| Monoisotopic Mass | 149.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number