6-Methyl-3-(3-phenoxypropyl)-1,2,4-triazolo[4,3-a]pyridin-8-amine
Basic information
- CAS
1175879-39-6- Standard SMILES
Cc1cc(N)c2nnc(CCCOc3ccccc3)n2c1- InChIKey
YGHPFWFNCRAYMG-UHFFFAOYSA-N- Molecular formula
- C16H18N4O
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.14806121
Names & identifiers
- Preferred name
- 6-Methyl-3-(3-phenoxypropyl)-1,2,4-triazolo[4,3-a]pyridin-8-amine
- IUPAC
- 6-methyl-3-(3-phenoxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
Names & synonyms
DTXSID8011673886-Methyl-3-(3-phenoxypropyl)-1,2,4-triazolo[4,3-a]pyridin-8-amine1175879-39-66-Methyl-3-(3-phenoxypropyl)[1,2,4]triazolo[4,3-a]pyridin-8-amine
Database identifiers
- CAS
1175879-39-6- PubChem CID
- 39079987
- DTXSID
DTXSID801167388
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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