Basic information
- CAS
116293-85-7- Standard SMILES
O=c1cc(-c2ccccc2)nc2nc(Cc3ccccc3)[nH]n12- InChIKey
JCSWJRPKGNJAPV-UHFFFAOYSA-N- Molecular formula
- C18H14N4O
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.11676108
Names & identifiers
- Preferred name
- 2-benzyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
- IUPAC
- 2-benzyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Names & synonyms
116293-85-7STK1697002-benzyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one2-BENZYL-5-PHENYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OLCHEMBL4514017SCHEMBL10407886DTXSID00397881AKOS001877894CCG-1436292-Benzyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one
Database identifiers
- CAS
116293-85-7- PubChem CID
- 3905946
- DTXSID
DTXSID00397881- ChEMBL
CHEMBL4514017
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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