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824431-89-2 | Pyridine, 4-[(1-cyclobutyl-2-methyl-1H-imidazol-4-yl)ethynyl]-2-methyl-
CAS No: 824431-89-2 Catalog No: AG0050QF MDL No:
Product Description
Catalog Number:
AG0050QF
Chemical Name:
Pyridine, 4-[(1-cyclobutyl-2-methyl-1H-imidazol-4-yl)ethynyl]-2-methyl-
CAS Number:
824431-89-2
Molecular Formula:
C16H17N3
Molecular Weight:
251.3263
IUPAC Name:
4-[2-(1-cyclobutyl-2-methylimidazol-4-yl)ethynyl]-2-methylpyridine
InChI:
InChI=1S/C16H17N3/c1-12-10-14(8-9-17-12)6-7-15-11-19(13(2)18-15)16-4-3-5-16/h8-11,16H,3-5H2,1-2H3
InChI Key:
QAWAXIKAHWUIHN-UHFFFAOYSA-N
SMILES:
Cc1nccc(c1)C#Cc1cn(c(n1)C)C1CCC1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.333g/mol
Monoisotopic Mass:
251.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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