7-(4-Phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Basic information
- CAS
303145-65-5- Standard SMILES
Nc1nc2nccc(-c3ccc(Oc4ccccc4)cc3)n2n1- InChIKey
MSWNBKBRRLSEKL-UHFFFAOYSA-N- Molecular formula
- C17H13N5O
- Average molar mass
- 303.32 g/mol
- Monoisotopic mass
- 303.11201006
Names & identifiers
- Preferred name
- 7-(4-Phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
- IUPAC
- 7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
- English name
- 7-(4-Phenoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
- Molecular formula
- C17H13N5O
- Molecular weight
- 303.32
Names & synonyms
303145-65-57-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine7-(4-phenoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-amineOprea1_746376DTXSID001194064AKOS005077842H8381111K-021[1,2,4]Triazolo[1,5-a]pyrimidin-2-amine, 7-(4-phenoxyphenyl)-7-(4-PHENOXYPHENYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YLAMINE
Database identifiers
- CAS
303145-65-5- PubChem CID
- 1471256
- DTXSID
DTXSID001194064
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 3.09 · 3.09±0.30(Predicted)
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Compound notes
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