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Home > Pyridines > 791601-13-3
791601-13-3 | 3,6-Pyridazinedione, 1-(2,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)-1,2-dihydro- (9CI)
CAS No: 791601-13-3 Catalog No: AG00GIUC MDL No:
Product Description
Catalog Number:
AG00GIUC
Chemical Name:
3,6-Pyridazinedione, 1-(2,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)-1,2-dihydro- (9CI)
CAS Number:
791601-13-3
IUPAC Name:
2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C8H7N5O3/c1-4-7(16)9-8(11-10-4)13-6(15)3-2-5(14)12-13/h2-3H,1H3,(H,12,14)(H,9,11,16)
InChI Key:
IXFILUATYOVNAT-UHFFFAOYSA-N
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.176g/mol
Monoisotopic Mass:
221.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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