Basic information
- CAS
65267-36-9- Standard SMILES
c1ccc(-c2nnc3ncccn23)cc1- InChIKey
WKNZWARSFASIOI-UHFFFAOYSA-N- Molecular formula
- C11H8N4
- Average molar mass
- 196.21 g/mol
- Monoisotopic mass
- 196.07489627
Names & identifiers
- Preferred name
- 3-Phenyl[1,2,4]triazolo[4,3-a]pyrimidine
- IUPAC
- 3-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine
Names & synonyms
65267-36-93-Phenyl[1,2,4]triazolo[4,3-a]pyrimidineNSC301667SCHEMBL30498959DTXSID40316293NSC-301667
Database identifiers
- CAS
65267-36-9- PubChem CID
- 327271
- DTXSID
DTXSID40316293- Nikkaji
- J2.898.430H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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