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1246549-47-2 | Methanone, (5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-1-piperazinyl-, hydrochloride (1:1)
CAS No: 1246549-47-2 Catalog No: AG000MJH MDL No:
Product Description
Catalog Number:
AG000MJH
Chemical Name:
Methanone, (5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-1-piperazinyl-, hydrochloride (1:1)
CAS Number:
1246549-47-2
Molecular Formula:
C12H17ClN4O
Molecular Weight:
268.7426
IUPAC Name:
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(piperazin-1-yl)methanone
InChI:
InChI=1S/C12H16N4O/c17-12(15-6-4-13-5-7-15)16-8-10-2-1-3-14-11(10)9-16/h1-3,13H,4-9H2
InChI Key:
BVUZPKBJIWETTO-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)cccn2)N1CCNCC1.Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.287g/mol
Monoisotopic Mass:
232.132g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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