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Home > Pyridines > 1193390-06-5
1193390-06-5 | 1-(piperidin-4-yl)-1H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-d]pyridazine-4,7-dione
CAS No: 1193390-06-5 Catalog No: AG019W1H MDL No:MFCD12912808
Product Description
Catalog Number:
AG019W1H
Chemical Name:
1-(piperidin-4-yl)-1H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-d]pyridazine-4,7-dione
CAS Number:
1193390-06-5
Molecular Formula:
C9H12N6O2
Molecular Weight:
236.2306
MDL Number:
MFCD12912808
IUPAC Name:
3-piperidin-4-yl-5,6-dihydrotriazolo[4,5-d]pyridazine-4,7-dione
InChI:
InChI=1S/C9H12N6O2/c16-8-6-7(9(17)13-12-8)15(14-11-6)5-1-3-10-4-2-5/h5,10H,1-4H2,(H,12,16)(H,13,17)
InChI Key:
HMNWWEZBMJWOFZ-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c(=O)c2c1n(nn2)C1CCNCC1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.235g/mol
Monoisotopic Mass:
236.102g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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