2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
Basic information
- CAS
25433-29-8- Standard SMILES
c1ccc(-c2n[nH]c(-c3ccccn3)n2)cc1- InChIKey
FDOSEIDYURVHEG-UHFFFAOYSA-N- Molecular formula
- C13H10N4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.09054634
Names & identifiers
- Preferred name
- 2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
- IUPAC
- 2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
- English name
- 2-(5-Phenyl-1H-1,2,4-triazol-3-yl)pyridine
- Molecular formula
- C13H10N4
- Molecular weight
- 222.25
Names & synonyms
2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine25433-29-8DTXSID00368834RefChem:251732DTXCID10319872Pyridine, 2-(5-phenyl-1H-1,2,4-triazol-3-yl)-SMR0001549123-phenyl-5-(2-pyridyl)-1H-1,2,4-triazole2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyridineMLS000569290F3171-0029SCHEMBL2251038
Show more names
3-(2-Pyridyl)-5-phenyl-1,2,4-triazole2-(5-Phenyl-1H-1,2,4-triazol-3-yl)pyridinePyridine, 2-(3-phenyl-1H-1,2,4-triazol-5-yl)-
CHEMBL1386467SCHEMBL12438899REGID_for_CID_2501092HMS2286J07STK914049AKOS001078905AKOS002269456ST50112674
Database identifiers
- CAS
25433-29-8- PubChem CID
- 2501092
- DTXSID
DTXSID00368834- ChEMBL
CHEMBL1386467- Nikkaji
- J668.575G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 212 · 212-214℃
- Density
- 1.248 · 1.248
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Compound notes
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