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785048-93-3 | 6-Bromo-2-(2-furanyl)[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CAS No: 785048-93-3 Catalog No: AG0036IL MDL No:
Product Description
Catalog Number:
AG0036IL
Chemical Name:
6-Bromo-2-(2-furanyl)[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CAS Number:
785048-93-3
Molecular Formula:
C9H6BrN5O
Molecular Weight:
280.0808
IUPAC Name:
6-bromo-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
InChI:
InChI=1S/C9H6BrN5O/c10-6-4-15-9(7(11)12-6)13-8(14-15)5-2-1-3-16-5/h1-4H,(H2,11,12)
InChI Key:
GSAUEIBYHJCVIR-UHFFFAOYSA-N
SMILES:
Brc1cn2nc(nc2c(n1)N)c1ccco1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.976g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.085g/mol
Monoisotopic Mass:
278.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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