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Home > Imidazoles > 392249-81-9
392249-81-9 | 1H-Imidazo[4,5-d]pyridazine-4,7-dione, 5,6-dihydro-5,6-dimethyl-
CAS No: 392249-81-9 Catalog No: AG0075XR MDL No:
Product Description
Catalog Number:
AG0075XR
Chemical Name:
1H-Imidazo[4,5-d]pyridazine-4,7-dione, 5,6-dihydro-5,6-dimethyl-
CAS Number:
392249-81-9
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
IUPAC Name:
5,6-dimethyl-1H-imidazo[4,5-d]pyridazine-4,7-dione
InChI:
InChI=1S/C7H8N4O2/c1-10-6(12)4-5(9-3-8-4)7(13)11(10)2/h3H,1-2H3,(H,8,9)
InChI Key:
MXVBLGMQEKMVJQ-UHFFFAOYSA-N
SMILES:
O=c1c2nc[nH]c2c(=O)n(n1C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.167g/mol
Monoisotopic Mass:
180.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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