Basic information
- CAS
4022-98-4- Standard SMILES
c1ccc(Cn2cnc3ncn4ncnc4c32)cc1- InChIKey
SRTHZBMTLYHYDR-UHFFFAOYSA-N- Molecular formula
- C13H10N6
- Average molar mass
- 250.26 g/mol
- Monoisotopic mass
- 250.09669434
Names & identifiers
- Preferred name
- 1-Benzyl-1h-[1,2,4]triazolo[5,1-i]purine
- IUPAC
- 1-benzyl-[1,2,4]triazolo[5,1-f]purine
Names & synonyms
4022-98-41-benzyl-1h-[1,2,4]triazolo[5,1-i]purineNSC88729DTXSID60293335NSC-88729
Database identifiers
- CAS
4022-98-4- PubChem CID
- 259130
- DTXSID
DTXSID60293335
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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