| CAS Number | 1031130-96-7 |
| Catalog Number | AG019LIV |
| Chemical Name | N-[3-(3-cyclopropyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)phenyl]acetamide |
| IUPAC Name | N-[3-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetamide |
| InChI | InChI=1S/C13H14N4OS/c1-8(18)14-10-3-2-4-11(7-10)17-12(9-5-6-9)15-16-13(17)19/h2-4,7,9H,5-6H2,1H3,(H,14,18)(H,16,19) |
| InChI Key | WYGKRXYDIUHQTQ-UHFFFAOYSA-N |
| MDL Number | MFCD09971477 |
| Molecular Formula | C13H14N4OS |
| Molecular Weight | 274.3415 |
| SMILES | CC(NC1=CC(N2C(C3CC3)=NN=C2S)=CC=C1)=O |
| Synonyms | N-[3-(3-cyclopropyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)phenyl]acetamide,
1031130-96-7,
N-[3-(3-cyclopropyl-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl]acetamide,
AC1Q1KMF,
CTK6A1019,
CTK8G1446,
ZINC12526564,
AKOS009171296,
MCULE-1912315217,
NE34292,
EN300-31393,
Z336481684,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.342g/mol |
| Monoisotopic Mass | 274.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number