| CAS Number | 1258639-95-0 |
| Catalog Number | AG01A8YI(AGN-PC-0WO1CR) |
| Chemical Name | 2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine |
| IUPAC Name | 3-piperidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine |
| InChI | InChI=1S/C11H18N4/c1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11/h9,12H,1-8H2 |
| InChI Key | IQNJOWIQIFYJMK-UHFFFAOYSA-N |
| MDL Number | MFCD17167113 |
| Molecular Formula | C11H18N4 |
| Molecular Weight | 206.2874 |
| SMILES | C1CNC(C2N3C(CCCC3)=NN=2)CC1 |
| Synonyms | 2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine,
1258639-95-0,
AC1Q1HIB,
AKOS017473774,
MCULE-8069299946,
NE16174,
EN300-62993,
Z1160899504,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.293g/mol |
| Monoisotopic Mass | 206.153g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number