CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1380.7 |
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COMPUTED DESCRIPTORS
Molecular Weight | 127.10 g/mol |
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XLogP3 | -0.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 0 |
Exact Mass | 127.038176411 g/mol |
Monoisotopic Mass | 127.038176411 g/mol |
Topological Polar Surface Area | 70.6 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 196 |
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 |
PRODUCT INTRODUCTION
description
6-azathymine is a nucleobase analogue that is thymine in which the CH group at position 6 is replaced by nitrogen. It has a role as a Mycoplasma genitalium metabolite and an EC 2.6.1.40 [(R)-3-amino-2-methylpropionate--pyruvate transaminase] inhibitor. It is a cyclic ketone, a member of 1,2,4-triazines and a nucleobase analogue.