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263568-83-8 | Pyridine, 2,2'-[4-(4-methylphenyl)-4H-1,2,4-triazole-3,5-diyl]bis-
CAS No: 263568-83-8 Catalog No: AG002SVM MDL No:
Product Description
Catalog Number:
AG002SVM
Chemical Name:
Pyridine, 2,2'-[4-(4-methylphenyl)-4H-1,2,4-triazole-3,5-diyl]bis-
CAS Number:
263568-83-8
Molecular Formula:
C19H15N5
Molecular Weight:
313.3559
IUPAC Name:
2-[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine
InChI:
InChI=1S/C19H15N5/c1-14-8-10-15(11-9-14)24-18(16-6-2-4-12-20-16)22-23-19(24)17-7-3-5-13-21-17/h2-13H,1H3
InChI Key:
YZBMGJOILCIGGL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(nnc1c1ccccn1)c1ccccn1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.133g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.364g/mol
Monoisotopic Mass:
313.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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