Basic information
- Standard SMILES
OC1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1- InChIKey
DSXKHNQVXUJTRO-UHFFFAOYSA-N- Molecular formula
- C18H17N7O
- Average molar mass
- 347.4 g/mol
Names & identifiers
- Preferred name
- 1-[1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]pyrrolidin-3-ol
- IUPAC
- 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
Names & synonyms
CHEMBL2170807SCHEMBL2571830DSXKHNQVXUJTRO-UHFFFAOYSA-NBDBM50396966DB-3748321-[1-(6-Quinolinylmethyl)-1H-1,2,3-triazolo[4,5-b]pyrazin-6-yl]-3-pyrrolidinol1-[1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]pyrrolidin-3-ol956905-49-0
Database identifiers
- PubChem CID
- 59341800
- ChEMBL
CHEMBL2170807
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 494
Related reactions
4 records
Linked notes
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