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Compound
N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide
HCID
21897312
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Basic information
Standard SMILES
CC(C)(C)C(=O)Nc1cnc(C(O)CO)cn1
InChIKey
YKPDKGAPRGKUJO-UHFFFAOYSA-N
Molecular formula
C11H17N3O3
Average molar mass
239.27 g/mol
Monoisotopic mass
239.12699141
Names & identifiers
Preferred name
N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide
IUPAC
N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide
Names & synonyms
SCHEMBL2645077
Database identifiers
PubChem CID
21897312
Properties
Computed structural properties
XLogP
-0.8
Topological polar surface area
95.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
265
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Related reactions
1 records
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As product
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As solvent
HRID
961460
As product
Validation data from https://doi.org/10.1039/C8SC04228D
Compound notes
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