Basic information
- Standard SMILES
CCOC(=O)C1CCCn2c(-c3ccncc3)nnc21- InChIKey
CPGCRAYFAZTYFD-UHFFFAOYSA-N- Molecular formula
- C14H16N4O2
- Average molar mass
- 272.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-pyridin-4-yl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
- IUPAC
- ethyl 3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
Names & synonyms
SCHEMBL1544735CPGCRAYFAZTYFD-UHFFFAOYSA-NDB-129931Ethyl 3-pyridin-4-yl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxylateethyl 3-pyridin-4-yl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-alpha]pyridine-8-carboxylateethyl 5,6,7,8-tetrahydro-3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
Database identifiers
- PubChem CID
- 57837993
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
4 records
Linked notes
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