| CAS Number | 926245-01-4 |
| Catalog Number | AG019P8O(AGN-PC-0WO3A1) |
| Chemical Name | 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine |
| IUPAC Name | 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C7H7ClN4O/c1-13-3-5-2-6(8)12-7(11-5)9-4-10-12/h2,4H,3H2,1H3 |
| InChI Key | NGAFBVWCOQBJAL-UHFFFAOYSA-N |
| MDL Number | MFCD09041093 |
| Molecular Formula | C7H7ClN4O |
| Molecular Weight | 198.6097 |
| SMILES | COCC1=NC2N(N=CN=2)C(Cl)=C1 |
| Synonyms | 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine,
926245-01-4,
AC1Q4FLN,
SCHEMBL18358127,
CTK7B2703,
ZINC21948805,
AKOS000123139,
NE35041,
CS-0091743,
EN300-22665,
F2199-0227,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.61g/mol |
| Monoisotopic Mass | 198.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number