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86870-01-1 | 1,2,4-Triazolo[4,3-b][1,2,4]triazine,7-(4-methylphenyl)-
CAS No: 86870-01-1 Catalog No: AG004M52 MDL No:
Product Description
Catalog Number:
AG004M52
Chemical Name:
1,2,4-Triazolo[4,3-b][1,2,4]triazine,7-(4-methylphenyl)-
CAS Number:
86870-01-1
Molecular Formula:
C11H9N5
Molecular Weight:
211.2227
IUPAC Name:
7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
InChI:
InChI=1S/C11H9N5/c1-8-2-4-9(5-3-8)10-6-13-16-7-12-15-11(16)14-10/h2-7H,1H3
InChI Key:
KFMAFQGTESBKIN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cnn2c(n1)nnc2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.228g/mol
Monoisotopic Mass:
211.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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