| CAS Number | 1221792-09-1 |
| Catalog Number | AG003AL7(AGN-PC-0WB2EB) |
| Chemical Name | tert-butyl 4-(3-cyano-6-isopropyl-2-pyridinyl)tetrahydro-1(2H)-pyrazinecarboxylate |
| IUPAC Name | tert-butyl 4-(3-cyano-6-propan-2-ylpyridin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C18H26N4O2/c1-13(2)15-7-6-14(12-19)16(20-15)21-8-10-22(11-9-21)17(23)24-18(3,4)5/h6-7,13H,8-11H2,1-5H3 |
| InChI Key | YDXALJQNKBADBC-UHFFFAOYSA-N |
| MDL Number | MFCD14584849 |
| Molecular Formula | C18H26N4O2 |
| Molecular Weight | 330.4246 |
| SMILES | O=C(OC(C)(C)C)N2(CCN(C1(=NC(=CC=C1C#N)C(C)C))CC2) |
| Synonyms | 1221792-09-1,
TERT-BUTYL 4-(3-CYANO-6-ISOPROPYL-2-PYRIDINYL)-TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE,
tert-butyl 4-(3-cyano-6-isopropylpyridin-2-yl)piperazine-1-carboxylate,
tert-butyl 4-(3-cyano-6-isopropyl-2-pyridinyl)tetrahydro-1(2H)-pyrazinecarboxylate,
CTK7C8281,
KS-000029QM,
ZX-RL003054,
MFCD14584849,
ZINC43828212,
AKOS005073637,
ND-0229,
RP16629,
OR303801,
AJ-109013,
TR-070908,
tertbutylcyanoisopropylpyridinyltetrahydropyrazinecarboxylate,
tert-butyl 4-[3-cyano-6-(propan-2-yl)pyridin-2-yl]piperazine-1-carboxylate,
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| Complexity | 483 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.432g/mol |
| Monoisotopic Mass | 330.206g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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