2-Amino-3-cyano-5-(2,3-dihydro-3-hydroxy-2,2-dimethylbenzofuran-7-yl)pyrazine

HCID 19040783

Notes Reactions

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Basic information

Standard SMILES: CC1(C)Oc2c(-c3cnc(N)c(C#N)n3)cccc2C1O
InChIKey: NKVUXUYIEKLJGS-UHFFFAOYSA-N
Molecular formula: C15H14N4O2
Average molar mass: 282.3 g/mol

Names & identifiers

Preferred name: 2-Amino-3-cyano-5-(2,3-dihydro-3-hydroxy-2,2-dimethylbenzofuran-7-yl)pyrazine
IUPAC: 3-amino-6-(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)pyrazine-2-carbonitrile

Names & synonyms

SCHEMBL8897511NKVUXUYIEKLJGS-UHFFFAOYSA-N2-amino-3-cyano-5-(2,3-dihydro-3-hydroxy-2,2-dimethylbenzofuran-7-yl)pyrazine

Database identifiers

PubChem CID: 19040783

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 105 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 21
Formal charge: 0
Complexity: 446

Related reactions

8 records

New reaction record

HRID 440912As productuspto-grants-1996_05

HRID 440913As reactantuspto-grants-1996_05

HRID 1211708As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1683689As productuspto-grants-1997_06

HRID 1683690As reactantuspto-grants-1997_06

HRID 1734169As productuspto-grants-1996_07

HRID 1734170As reactantuspto-grants-1996_07

HRID 2313132As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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