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91159-94-3

91159-94-3 structural image
Product Name: Pyrimidine, 2-(1H-1,2,4-triazol-1-yl)- (7CI,9CI)
Formula: C6H5N5
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COMPUTED DESCRIPTORS

Molecular Weight 147.14 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 147.05449518 g/mol
Monoisotopic Mass 147.05449518 g/mol
Topological Polar Surface Area 56.5 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 122
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes