| CAS Number | 1240527-80-3 |
| Catalog Number | AG01A9FS(AGN-PC-0WOVW8) |
| Chemical Name | 2-(3-cyano-1H-1,2,4-triazol-1-yl)acetamide |
| IUPAC Name | 2-(3-cyano-1,2,4-triazol-1-yl)acetamide |
| InChI | InChI=1S/C5H5N5O/c6-1-5-8-3-10(9-5)2-4(7)11/h3H,2H2,(H2,7,11) |
| InChI Key | IMCWBQIDQSRZMJ-UHFFFAOYSA-N |
| MDL Number | MFCD16622069 |
| Molecular Formula | C5H5N5O |
| Molecular Weight | 151.1261 |
| SMILES | NC(CN1N=C(C#N)N=C1)=O |
| Synonyms | 2-(3-cyano-1H-1,2,4-triazol-1-yl)acetamide,
1240527-80-3,
AC1Q4ZOI,
SCHEMBL11518840,
ZINC57218402,
AKOS009113185,
MCULE-4109726551,
NE34813,
EN300-64955,
Z228463910,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.129g/mol |
| Monoisotopic Mass | 151.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number