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Home > Pyridines > 2060047-53-0
2060047-53-0 | 5,7-dicyclopropyl-6-methyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
CAS No: 2060047-53-0 Catalog No: AG01BPEY MDL No:MFCD30500168
Product Description
Catalog Number:
AG01BPEY
Chemical Name:
5,7-dicyclopropyl-6-methyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
CAS Number:
2060047-53-0
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
MDL Number:
MFCD30500168
IUPAC Name:
5,7-dicyclopropyl-6-methyl-2H-pyrrolo[3,4-d]pyridazin-1-one
InChI:
InChI=1S/C13H15N3O/c1-16-11(7-2-3-7)9-6-14-15-13(17)10(9)12(16)8-4-5-8/h6-8H,2-5H2,1H3,(H,15,17)
InChI Key:
AIBOVRMFNMSZFU-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncc2c1c(C1CC1)n(c2C1CC1)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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