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88066-78-8 | 1,2,4-Triazolo[4,3-a]pyrazine, 6-(3-chlorophenyl)-3-methyl-
CAS No: 88066-78-8 Catalog No: AG004EYE MDL No:
Product Description
Catalog Number:
AG004EYE
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrazine, 6-(3-chlorophenyl)-3-methyl-
CAS Number:
88066-78-8
Molecular Formula:
C12H9ClN4
Molecular Weight:
244.6797
IUPAC Name:
6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
InChI:
InChI=1S/C12H9ClN4/c1-8-15-16-12-6-14-11(7-17(8)12)9-3-2-4-10(13)5-9/h2-7H,1H3
InChI Key:
UPYZWWDPGAMHOK-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1ncc2n(c1)c(C)nn2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.682g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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