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72668-56-5 | 6-methyl-5H,6H,7H,8H-pyrazino[2,3-d]pyridazine-5,8-dione
CAS No: 72668-56-5 Catalog No: AG019K69 MDL No:MFCD06251598
Product Description
Catalog Number:
AG019K69
Chemical Name:
6-methyl-5H,6H,7H,8H-pyrazino[2,3-d]pyridazine-5,8-dione
CAS Number:
72668-56-5
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
MDL Number:
MFCD06251598
IUPAC Name:
6-methyl-7H-pyrazino[2,3-d]pyridazine-5,8-dione
InChI:
InChI=1S/C7H6N4O2/c1-11-7(13)5-4(6(12)10-11)8-2-3-9-5/h2-3H,1H3,(H,10,12)
InChI Key:
PYUBLQHYYQQNEF-UHFFFAOYSA-N
SMILES:
O=c1[nH]n(C)c(=O)c2c1nccn2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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