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88066-94-8 | 1,2,4-Triazolo[4,3-a]pyrazine, 6-phenyl-
CAS No: 88066-94-8 Catalog No: AG004I3D MDL No:
Product Description
Catalog Number:
AG004I3D
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrazine, 6-phenyl-
CAS Number:
88066-94-8
Molecular Formula:
C11H8N4
Molecular Weight:
196.2080
IUPAC Name:
6-phenyl-[1,2,4]triazolo[4,3-a]pyrazine
InChI:
InChI=1S/C11H8N4/c1-2-4-9(5-3-1)10-7-15-8-13-14-11(15)6-12-10/h1-8H
InChI Key:
VIVKQBYHRRUKDL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ncc2n(c1)cnn2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.213g/mol
Monoisotopic Mass:
196.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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