Basic information
- CAS
5528-52-9- Standard SMILES
CCc1nnc2cc(C)cc(C)n12- InChIKey
KBTHYKMSPYLZKU-UHFFFAOYSA-N- Molecular formula
- C10H13N3
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.11094743
Names & identifiers
- Preferred name
- 3-Ethyl-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyridine
- IUPAC
- 3-ethyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridine
Names & synonyms
5528-52-93-ethyl-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyridine3-ethyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridineNSC76005DTXSID90291501NSC-76005
Database identifiers
- CAS
5528-52-9- PubChem CID
- 253281
- DTXSID
DTXSID90291501
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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