| CAS Number | 1082428-28-1 |
| Catalog Number | AG01AGAE(AGN-PC-0WOS55) |
| Chemical Name | 3-Isopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine |
| IUPAC Name | 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-amine |
| InChI | InChI=1S/C9H12N4/c1-6(2)9-12-11-8-4-3-7(10)5-13(8)9/h3-6H,10H2,1-2H3 |
| InChI Key | LESOADRTXNTDHB-UHFFFAOYSA-N |
| MDL Number | MFCD11597185 |
| Molecular Formula | C9H12N4 |
| Molecular Weight | 176.2184 |
| SMILES | CC(C1N2C(C=CC(=C2)N)=NN=1)C |
| Synonyms | 3-(Propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine,
1082428-28-1,
3-Isopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine,
ZINC19753808,
AKOS011827889,
KS-7519,
NE36630,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.223g/mol |
| Monoisotopic Mass | 176.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number