Basic information
- CAS
5006-54-2- Standard SMILES
c1ccc(-c2nnc3ccccn23)nc1- InChIKey
XDDFMBJBQGJWBZ-UHFFFAOYSA-N- Molecular formula
- C11H8N4
- Average molar mass
- 196.21 g/mol
- Monoisotopic mass
- 196.07489627
Names & identifiers
- Preferred name
- 3-Pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
- IUPAC
- 3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
Names & synonyms
3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridine5006-54-2NSC7090931,2,4-Triazolo[4,3-a]pyridine, 3-(2-pyridinyl)-SCHEMBL11013773SCHEMBL15013527SCHEMBL30498963DTXSID00327986NSC-7090933-(Pyridin-2-yl)[1,2,4]triazolo[4,3-a]pyridine
Database identifiers
- CAS
5006-54-2- PubChem CID
- 398872
- DTXSID
DTXSID00327986- Nikkaji
- J2.342.803B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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