2-Pyridin-2-yl-4-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidine
Basic information
- CAS
685107-78-2- Standard SMILES
c1ccc(-c2nccc(-c3ccc(-n4cncn4)cc3)n2)nc1- InChIKey
VMFXPIJWSWRXRI-UHFFFAOYSA-N- Molecular formula
- C17H12N6
- Average molar mass
- 300.32 g/mol
Names & identifiers
- Preferred name
- 2-Pyridin-2-yl-4-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidine
- IUPAC
- 2-pyridin-2-yl-4-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidine
- English name
- 2-(2-Pyridinyl)-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine
- Molecular formula
- C17H12N6
- Molecular weight
- 300.32
Names & synonyms
685107-78-22-pyridin-2-yl-4-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidine2-(pyridin-2-yl)-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine2-(2-pyridinyl)-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidineCHEMBL4891937AKOS0050942285T-0295Pyrimidine, 2-(2-pyridinyl)-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-
Database identifiers
- CAS
685107-78-2- ChEMBL
CHEMBL4891937
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 468.4 · 468.4±55.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 1.61 · 1.61±0.10(Predicted)
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Compound notes
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