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832127-76-1 | Pyrazino[2,3-d]-1,2,3-triazin-4(3H)-one, 3-hydroxy-
CAS No: 832127-76-1 Catalog No: AG004Z4A MDL No:
Product Description
Catalog Number:
AG004Z4A
Chemical Name:
Pyrazino[2,3-d]-1,2,3-triazin-4(3H)-one, 3-hydroxy-
CAS Number:
832127-76-1
Molecular Formula:
C5H3N5O2
Molecular Weight:
165.1096
IUPAC Name:
3-hydroxypyrazino[2,3-d]triazin-4-one
InChI:
InChI=1S/C5H3N5O2/c11-5-3-4(7-2-1-6-3)8-9-10(5)12/h1-2,12H
InChI Key:
QUGPSMKWXAWFPS-UHFFFAOYSA-N
SMILES:
On1nnc2c(c1=O)nccn2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.112g/mol
Monoisotopic Mass:
165.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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