| CAS Number | 53689-26-2 |
| Catalog Number | AG01AGKP(AGN-PC-06N6MP) |
| Chemical Name | 2-(3-hydroxypropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one |
| IUPAC Name | 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one |
| InChI | InChI=1S/C9H11N3O2/c13-7-3-6-12-9(14)11-5-2-1-4-8(11)10-12/h1-2,4-5,13H,3,6-7H2 |
| InChI Key | XOVDGSIREHLHLB-UHFFFAOYSA-N |
| MDL Number | MFCD12186713 |
| Molecular Formula | C9H11N3O2 |
| Molecular Weight | 193.2025 |
| SMILES | OCCCN1C(=O)N2C(C=CC=C2)=N1 |
| Synonyms | 2-(3-hydroxypropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one,
53689-26-2,
AC1Q7CT5,
ZINC35649941,
AKOS008132398,
MCULE-7990959136,
NE42554,
EN300-72137,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.206g/mol |
| Monoisotopic Mass | 193.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number