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189686-80-4 | 5H-Pyrazolo[3,4-d]pyridazine
CAS No: 189686-80-4 Catalog No: AG002DVG MDL No:
Product Description
Catalog Number:
AG002DVG
Chemical Name:
5H-Pyrazolo[3,4-d]pyridazine
CAS Number:
189686-80-4
Molecular Formula:
C5H4N4
Molecular Weight:
120.1121
IUPAC Name:
2H-pyrazolo[3,4-d]pyridazine
InChI:
InChI=1S/C5H4N4/c1-4-2-8-9-5(4)3-7-6-1/h1-3H,(H,8,9)
InChI Key:
RDNNZYOQZGCDBE-UHFFFAOYSA-N
SMILES:
n1[nH]cc2c(c1)nnc2
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.044g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
120.115g/mol
Monoisotopic Mass:
120.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Antibacterial and antifungal activities of new pyrazolo[3,4-d]pyridazin derivatives. | European journal of medicinal chemistry 20050401 |
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