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Home > Other Heterocycles > 7254-33-3
7254-33-3 | 4,9-dimethyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,6-diene-3,5-dione
CAS No: 7254-33-3 Catalog No: AG005G3F MDL No:MFCD24549967
Product Description
Catalog Number:
AG005G3F
Chemical Name:
4,9-dimethyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,6-diene-3,5-dione
CAS Number:
7254-33-3
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
MDL Number:
MFCD24549967
IUPAC Name:
1,5-dimethyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
InChI:
InChI=1S/C7H8N4O2/c1-10-6(12)4-3-8-11(2)5(4)9-7(10)13/h3H,1-2H3,(H,9,13)
InChI Key:
QEIXSXWGXSQULN-UHFFFAOYSA-N
SMILES:
O=c1nc2n(C)[nH]cc2c(=O)n1C
NSC Number:
73297
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:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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