Basic information
- Standard SMILES
CC(C)(O)CCNc1cnc(C#Cc2ccccc2)cn1- InChIKey
YNMRBFRFLVLDJW-UHFFFAOYSA-N- Molecular formula
- C17H19N3O
- Average molar mass
- 281.35 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-4-(5-phenylethynyl-pyrazin-2-ylamino)-butan-2-ol
- IUPAC
- 2-methyl-4-[[5-(2-phenylethynyl)pyrazin-2-yl]amino]butan-2-ol
Names & synonyms
SCHEMBL2520286YNMRBFRFLVLDJW-UHFFFAOYSA-N2-Methyl-4-(5-phenylethynyl-pyrazin-2-ylamino)-butan-2-ol
Database identifiers
- PubChem CID
- 57516784
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
9 records
Compound notes
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