| CAS Number | 1135283-84-9 |
| Catalog Number | AG00ITMU(AGN-PC-0WB2DT) |
| Chemical Name | Tert-butyl 4-(3-cyano-6-cyclopropylpyridin-2-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3-cyano-6-cyclopropylpyridin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)22-10-8-21(9-11-22)16-14(12-19)6-7-15(20-16)13-4-5-13/h6-7,13H,4-5,8-11H2,1-3H3 |
| InChI Key | KXHIRDUGFMXLKB-UHFFFAOYSA-N |
| MDL Number | MFCD11841055 |
| Molecular Formula | C18H24N4O2 |
| Molecular Weight | 328.4088 |
| SMILES | O=C(OC(C)(C)C)N3(CCN(C1(=NC(=CC=C1C#N)C2(CC2)))CC3) |
| Synonyms | 1135283-84-9,
tert-butyl 4-(3-cyano-6-cyclopropylpyridin-2-yl)piperazine-1-carboxylate,
TERT-BUTYL 4-(3-CYANO-6-CYCLOPROPYL-2-PYRIDINYL)-TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE,
tert-butyl 4-(3-cyano-6-cyclopropyl-2-pyridinyl)tetrahydro-1(2H)-pyrazinecarboxylate,
CTK7C8282,
KS-000029PW,
ZX-RL002999,
MFCD11841055,
ZINC29753858,
AKOS005073689,
NC-0743,
RP16607,
AJ-83791,
OR303781,
TR-065350,
tertbutylcyanocyclopropylpyridinyltetrahydropyrazinecarboxylate,
|
| Complexity | 509 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.416g/mol |
| Monoisotopic Mass | 328.19g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number