| CAS Number | 1350521-76-4 |
| Catalog Number | AG00J2O2 |
| Chemical Name | 3-chloro-N,1-dimethyl-1H-1,2,4-triazol-5-amine |
| IUPAC Name | 5-chloro-N,2-dimethyl-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C4H7ClN4/c1-6-4-7-3(5)8-9(4)2/h1-2H3,(H,6,7,8) |
| InChI Key | PZOGNWLDANNBNX-UHFFFAOYSA-N |
| MDL Number | MFCD20502408 |
| Molecular Formula | C4H7ClN4 |
| Molecular Weight | 146.5782 |
| SMILES | N1C(Cl)=NN(C)C=1NC |
| Synonyms | 3-chloro-N,1-dimethyl-1H-1,2,4-triazol-5-amine,
1350521-76-4,
ZX-CM010263,
ZINC71372414,
FCH1418064,
Y-8181,
|
| Complexity | 98.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.035924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.58g/mol |
| Monoisotopic Mass | 146.035924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number