Basic information
- CAS
778-65-4- Standard SMILES
c1ccc(-c2nnc3ccccn23)cc1- InChIKey
BKMNRMWBERCAFW-UHFFFAOYSA-N- Molecular formula
- C12H9N3
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.0796473
Names & identifiers
- Preferred name
- 3-Phenyl-[1,2,4]triazolo[4,3-a]pyridine
- IUPAC
- 3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
- English name
- 1,2,4-Triazolo[4,3-a]pyridine, 3-phenyl-
- Molecular formula
- C12H9N3
- Molecular weight
- 195.22
Names & synonyms
3-phenyl-[1,2,4]triazolo[4,3-a]pyridine778-65-43-Phenyl[1,2,4]triazolo[4,3-a]pyridineNSC68461s-Triazolo[4,3-a]pyridine, 3-phenyl-1,2,4-Triazolo[4,3-a]pyridine, 3-phenyl-s-Triazolo[4, 3-phenyl-SCHEMBL6219388SCHEMBL15013662DTXSID90999015BKMNRMWBERCAFW-UHFFFAOYSA-NMFCD00709911
Show more names
3-Phenyl-1,2,4-triazolo[4,3-a]pyridine
NSC-68461AKOS002313720ST1032801,4-Triazolo[4,3-a]pyridine, 3-phenyl-DB-037950ST451815053-Phenyl[1,2,4]triazolo[4,3-a]pyridine #AE-842/08376054
Database identifiers
- CAS
778-65-4- PubChem CID
- 249774
- DTXSID
DTXSID90999015- Nikkaji
- J104.511C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 176 °C · 176 °C
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 2.93 · 2.93±0.50(Predicted)
Chemistry & industry
Suppliers2 total
上海奈亦斯生物科技有限公司18321139117 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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