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88277-75-2 | 1,2,4-Triazolo[4,3-b]pyridazine-3-carbonitrile, 6-(4-morpholinyl)-
CAS No: 88277-75-2 Catalog No: AG0049VA MDL No:
Product Description
Catalog Number:
AG0049VA
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazine-3-carbonitrile, 6-(4-morpholinyl)-
CAS Number:
88277-75-2
Molecular Formula:
C10H10N6O
Molecular Weight:
230.2260
IUPAC Name:
6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile
InChI:
InChI=1S/C10H10N6O/c11-7-10-13-12-8-1-2-9(14-16(8)10)15-3-5-17-6-4-15/h1-2H,3-6H2
InChI Key:
VQULESRYDXZHLH-UHFFFAOYSA-N
SMILES:
N#Cc1nnc2n1nc(cc2)N1CCOCC1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.092g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.231g/mol
Monoisotopic Mass:
230.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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