Basic information
- CAS
91322-02-0- Standard SMILES
COc1ncc2nnn(-c3ccccc3)c2n1- InChIKey
HUTPWGNIBKPMPH-UHFFFAOYSA-N- Molecular formula
- C11H9N5O
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.08070993
Names & identifiers
- Preferred name
- 5-Methoxy-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
- IUPAC
- 5-methoxy-3-phenyltriazolo[4,5-d]pyrimidine
Names & synonyms
91322-02-05-Methoxy-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidineDTXSID50554144
Database identifiers
- CAS
91322-02-0- PubChem CID
- 14006331
- DTXSID
DTXSID50554144
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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