| CAS Number | 1016752-61-6 |
| Catalog Number | AG019TMG |
| Chemical Name | 6-[4-(pyridin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile |
| IUPAC Name | 6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C15H15N5/c16-11-13-4-5-15(18-12-13)20-9-7-19(8-10-20)14-3-1-2-6-17-14/h1-6,12H,7-10H2 |
| InChI Key | ONQTVRRHXFQNNC-UHFFFAOYSA-N |
| MDL Number | MFCD09931929 |
| Molecular Formula | C15H15N5 |
| Molecular Weight | 265.3131 |
| SMILES | N#CC1=CN=C(N2CCN(C3=NC=CC=C3)CC2)C=C1 |
| Synonyms | 6-[4-(pyridin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile,
1016752-61-6,
ZINC19433599,
AKOS000175341,
MCULE-2242014117,
NE49657,
EN300-98221,
Z219113846,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.32g/mol |
| Monoisotopic Mass | 265.133g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number