Basic information
- CAS
676169-97-4- Standard SMILES
C#Cc1ccc2nnc(C(C)C)n2c1- InChIKey
PGWOYBFQCDYXSS-UHFFFAOYSA-N- Molecular formula
- C11H11N3
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.09529736
Names & identifiers
- Preferred name
- 6-Ethynyl-3-isopropyl-[1,2,4]triazolo[4,3-a]pyridine
- IUPAC
- 6-ethynyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
Names & synonyms
6-Ethynyl-3-isopropyl-[1,2,4]triazolo[4,3-a]pyridine676169-97-43-Isopropyl-6-ethynyl-[1,2,4]triazolo(4,3-a)pyridineSCHEMBL5866751DTXSID80622744PGWOYBFQCDYXSS-UHFFFAOYSA-NDB-3154713-isopropyl-6-ethynyl-[1,2,4] triazolo(4,3-a) pyridine6-Ethynyl-3-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyridine
Database identifiers
- CAS
676169-97-4- PubChem CID
- 22136201
- DTXSID
DTXSID80622744
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Related reactions
4 records
Compound notes
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