| CAS Number | 856863-13-3 |
| Catalog Number | AG01B23E |
| Chemical Name | 2-(1-Methyl-1H-1,2,3-triazol-4-yl)acetonitrile |
| IUPAC Name | 2-(1-methyltriazol-4-yl)acetonitrile |
| InChI | InChI=1S/C5H6N4/c1-9-4-5(2-3-6)7-8-9/h4H,2H2,1H3 |
| InChI Key | AHTBGEZPKPRECN-UHFFFAOYSA-N |
| MDL Number | MFCD28549691 |
| Molecular Formula | C5H6N4 |
| Molecular Weight | 122.1279 |
| SMILES | CN1N=NC(CC#N)=C1 |
| Synonyms | 2-(1-methyl-1H-1,2,3-triazol-4-yl)acetonitrile,
856863-13-3,
SCHEMBL11744537,
AKOS024194480,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.131g/mol |
| Monoisotopic Mass | 122.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number