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Compound
1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
HCID
22147251
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCc1cnc(CC)c(NC2c3ccccc3CC2O)n1
InChIKey
CYVKOKRRKFNHNW-UHFFFAOYSA-N
Molecular formula
C17H21N3O
Average molar mass
283.37 g/mol
Names & identifiers
Preferred name
1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
IUPAC
1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
Names & synonyms
SCHEMBL3840869
Database identifiers
PubChem CID
22147251
Properties
Computed structural properties
XLogP
2.7
Topological polar surface area
58 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
338
Show all 8
Show all 8 / 8
Related reactions
12 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
100744
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
107174
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
149678
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
180886
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
210471
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
283358
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
287694
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
689227
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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