Basic information
- Standard SMILES
CNCC1(O)CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1- InChIKey
VAARRYZKKJVORM-UHFFFAOYSA-N- Molecular formula
- C20H22N8O
- Average molar mass
- 390.4 g/mol
Names & identifiers
- Preferred name
- 3-[(methylamino)methyl]-1-[1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]pyrrolidin-3-ol
- IUPAC
- 3-(methylaminomethyl)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
Names & synonyms
SCHEMBL2573421VAARRYZKKJVORM-UHFFFAOYSA-N3-[(methylamino)methyl]-1-[1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]pyrrolidin-3-ol
Database identifiers
- PubChem CID
- 59341828
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 567
Related reactions
2 records
Compound notes
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