2-Amino-3-(4-boc-piperazin-1-yl)pyrazine - CAS 1208542-95-3
Catalog: |
BB075107 |
Product Name: |
2-Amino-3-(4-boc-piperazin-1-yl)pyrazine |
CAS: |
1208542-95-3 |
Synonyms: |
4-(3-Amino-2-pyrazinyl)-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester |
IUPAC Name: | tert-butyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate |
Description: | 2-Amino-3-(4-boc-piperazin-1-yl)pyrazine |
Molecular Weight: | 279.34 |
Molecular Formula: | C13H21N5O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CN=C2N |
InChI: | InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)11-10(14)15-4-5-16-11/h4-5H,6-9H2,1-3H3,(H2,14,15) |
InChI Key: | TVVMFRXXKIFECN-UHFFFAOYSA-N |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.16952493 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.16952493 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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