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879573-90-7 | [1,2,3]Triazolo[1,5-b][1,2,4]triazine, 6-phenyl-
CAS No: 879573-90-7 Catalog No: AG004E8Z MDL No:
Product Description
Catalog Number:
AG004E8Z
Chemical Name:
[1,2,3]Triazolo[1,5-b][1,2,4]triazine, 6-phenyl-
CAS Number:
879573-90-7
Molecular Formula:
C10H7N5
Molecular Weight:
197.1961
IUPAC Name:
6-phenyltriazolo[1,5-b][1,2,4]triazine
InChI:
InChI=1S/C10H7N5/c1-2-4-8(5-3-1)9-6-11-10-7-12-14-15(10)13-9/h1-7H
InChI Key:
KXQHFTUXKDCSFZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cnc2n(n1)nnc2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.201g/mol
Monoisotopic Mass:
197.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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