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Home > Pyridines > 1105196-46-0
1105196-46-0 | 1-tert-butyl-4-(propan-2-yl)-1H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CAS No: 1105196-46-0 Catalog No: AG01ARVU MDL No:MFCD11986545
Product Description
Catalog Number:
AG01ARVU
Chemical Name:
1-tert-butyl-4-(propan-2-yl)-1H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CAS Number:
1105196-46-0
Molecular Formula:
C12H18N4O
Molecular Weight:
234.2975
MDL Number:
MFCD11986545
IUPAC Name:
1-tert-butyl-4-propan-2-yl-6H-pyrazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C12H18N4O/c1-7(2)9-8-6-13-16(12(3,4)5)10(8)11(17)15-14-9/h6-7H,1-5H3,(H,15,17)
InChI Key:
LVDANKIJRLFMIV-UHFFFAOYSA-N
SMILES:
CC(c1n[nH]c(=O)c2c1cnn2C(C)(C)C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.148g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.303g/mol
Monoisotopic Mass:
234.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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