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Home > Pyridines > 439108-34-6
439108-34-6 | 7-phenyl-2-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CAS No: 439108-34-6 Catalog No: AG00IPBQ MDL No:MFCD02661727
Product Description
Catalog Number:
AG00IPBQ
Chemical Name:
7-phenyl-2-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CAS Number:
439108-34-6
Molecular Formula:
C17H10N4S
Molecular Weight:
302.3531
MDL Number:
MFCD02661727
IUPAC Name:
7-phenyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
InChI:
InChI=1S/C17H10N4S/c18-11-14-13(12-5-2-1-3-6-12)8-9-21-17(14)19-16(20-21)15-7-4-10-22-15/h1-10H
InChI Key:
UNAZZKWXZGOJSW-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccn2c1nc(n2)c1cccs1)c1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.063g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.355g/mol
Monoisotopic Mass:
302.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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