| CAS Number | 167371-76-8 |
| Catalog Number | AG019VHP(AGN-PC-0WO7N8) |
| Chemical Name | 7-Chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine |
| IUPAC Name | 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C7H7ClN4/c1-2-5-3-6(8)12-7(11-5)9-4-10-12/h3-4H,2H2,1H3 |
| InChI Key | QWSTYGSBBPKJAM-UHFFFAOYSA-N |
| MDL Number | MFCD08898721 |
| Molecular Formula | C7H7ClN4 |
| Molecular Weight | 182.6103 |
| SMILES | CCC1=NC2N(N=CN=2)C(Cl)=C1 |
| Synonyms | 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine,
167371-76-8,
AC1Q2U6M,
SCHEMBL7433052,
CTK6D1028,
ZINC13534066,
AKOS000123590,
MCULE-8445258987,
NE43954,
CS-0091732,
EN300-45274,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.611g/mol |
| Monoisotopic Mass | 182.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number