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Home > Pyridines > 439108-32-4
439108-32-4 | 2-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CAS No: 439108-32-4 Catalog No: AG00IQ87 MDL No:MFCD02661724
Product Description
Catalog Number:
AG00IQ87
Chemical Name:
2-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CAS Number:
439108-32-4
Molecular Formula:
C20H14N4
Molecular Weight:
310.3520
MDL Number:
MFCD02661724
IUPAC Name:
2-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
InChI:
InChI=1S/C20H14N4/c1-14-7-9-16(10-8-14)19-22-20-18(13-21)17(11-12-24(20)23-19)15-5-3-2-4-6-15/h2-12H,1H3
InChI Key:
BNDMBBJMHCGMJE-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccn2c1nc(n2)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.36g/mol
Monoisotopic Mass:
310.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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