| CAS Number | 1193388-32-7 |
| Catalog Number | AG019W2C(AGN-PC-0WOSX7) |
| Chemical Name | 2-(3-aminopropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one hydrochloride |
| IUPAC Name | 2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride |
| InChI | InChI=1S/C9H12N4O.ClH/c10-5-3-7-13-9(14)12-6-2-1-4-8(12)11-13;/h1-2,4,6H,3,5,7,10H2;1H |
| InChI Key | DKPCAPPYTZMPQD-UHFFFAOYSA-N |
| MDL Number | MFCD12912820 |
| Molecular Formula | C9H13ClN4O |
| Molecular Weight | 228.6787 |
| SMILES | Cl.NCCCN1C(=O)N2C(C=CC=C2)=N1 |
| Synonyms | 2-(3-aminopropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one hydrochloride,
1193388-32-7,
EN300-50257,
2-(3-aminopropyl)-2H,3H-[1,2,4]triazolo[3,4-a]pyridin-3-one hydrochloride,
AC1Q3DCB,
CTK8F3559,
AKOS026742772,
MCULE-5219140081,
NE62517,
Z607822482,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.68g/mol |
| Monoisotopic Mass | 228.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number