| CAS Number | 1232800-16-6 |
| Catalog Number | AG00J2GD(AGN-PC-0WB5XM) |
| Chemical Name | 3-chloro-N-methyl-1H-1,2,4-triazole-5-carboxamide |
| IUPAC Name | 5-chloro-N-methyl-1H-1,2,4-triazole-3-carboxamide |
| InChI | InChI=1S/C4H5ClN4O/c1-6-3(10)2-7-4(5)9-8-2/h1H3,(H,6,10)(H,7,8,9) |
| InChI Key | KAVCFTFVLRFCHM-UHFFFAOYSA-N |
| MDL Number | MFCD17430383 |
| Molecular Formula | C4H5ClN4O |
| Molecular Weight | 160.5617 |
| SMILES | N1C(Cl)=NNC=1C(NC)=O |
| Synonyms | 3-chloro-N-methyl-1H-1,2,4-triazole-5-carboxamide,
1232800-16-6,
5-chloro-N-methyl-1H-1,2,4-triazole-3-carboxamide,
KAVCFTFVLRFCHM-UHFFFAOYSA-N,
BB_SC-09034,
ZX-CM009551,
BBL032789,
MFCD17430383,
STK930627,
ZINC44891240,
AKOS005660801,
FCH1012663,
MCULE-3507047248,
Y-8323,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.561g/mol |
| Monoisotopic Mass | 160.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number