5-(tert-Butyl)-6-chloropyrazine-2-carboxamide

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Basic information

CAS: 182244-17-3
Standard SMILES: CC(C)(C)c1ncc(C(N)=O)nc1Cl
InChIKey: ZRRPVOQKJLIKNG-UHFFFAOYSA-N
Molecular formula: C9H12ClN3O
Average molar mass: 213.66 g/mol
Monoisotopic mass: 213.0668897

Names & identifiers

Preferred name: 5-(tert-Butyl)-6-chloropyrazine-2-carboxamide
IUPAC: 5-tert-butyl-6-chloropyrazine-2-carboxamide

Names & synonyms

5-(tert-Butyl)-6-chloropyrazine-2-carboxamide182244-17-35-tert-butyl-6-chloropyrazine-2-carboxamideDTXSID8012166606-Chloro-5-(1,1-dimethylethyl)-2-pyrazinecarboxamide

Database identifiers

CAS: 182244-17-3
PubChem CID: 10727331
DTXSID: DTXSID801216660

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 68.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 227

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Compound notes

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