| CAS Number | 194209-18-2 |
| Catalog Number | AG00AZ49(AGN-PC-0NAPYJ) |
| Chemical Name | Ethanone, 1-(1-methyl-1H-1,2,3-triazol-5-yl)- (9CI) |
| IUPAC Name | 1-(3-methyltriazol-4-yl)ethanone |
| InChI | InChI=1S/C5H7N3O/c1-4(9)5-3-6-7-8(5)2/h3H,1-2H3 |
| InChI Key | OUEAKYQSJVMRDM-UHFFFAOYSA-N |
| MDL Number | MFCD18829125 |
| Molecular Formula | C5H7N3O |
| Molecular Weight | 125.1286 |
| SMILES | CC(=O)C1=CN=NN1C |
| Synonyms | 1-(1-Methyl-1H-1,2,3-triazol-5-yl)ethanone,
194209-18-2,
1-(1-methyl-1H-1,2,3-triazol-5-yl)ethan-1-one,
SCHEMBL17541003,
ZINC34478451,
AKOS023876077,
Z2216711554,
1-(3-methyltriazol-4-yl)ethanone,
CID10796745,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.131g/mol |
| Monoisotopic Mass | 125.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number