Basic information
- Standard SMILES
OCCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccn1)=NC2- InChIKey
XGCLGQYXHMNNML-UHFFFAOYSA-N- Molecular formula
- C17H14ClN5O
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.0886878
Names & identifiers
- Preferred name
- 8-chloro-1-(2-hydroxyethyl)-6-(2-pyridyl)-4H-s-triazolo-[4,3-a][1,4]benzodiazepine
- IUPAC
- 2-(8-chloro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethanol
Names & synonyms
SCHEMBL11832698XGCLGQYXHMNNML-UHFFFAOYSA-N8-chloro-1-(2-hydroxyethyl)-6-(2-pyridyl)-4H-s-triazolo-[4,3-a][1,4]benzodiazepine8-chloro-1-(2-hydroxyethyl)-6-(2-pyridyl)-4H-s-triazolo[4,3-a][1,4]-benzodiazepine
Database identifiers
- PubChem CID
- 21494814
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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