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Home > Pyridines > 1803595-23-4
1803595-23-4 | 5-(azetidin-1-yl)-2-(piperidin-3-yl)-2,3-dihydropyridazin-3-one, carbonic acid
CAS No: 1803595-23-4 Catalog No: AG01B8SC MDL No:MFCD28348103
Product Description
Catalog Number:
AG01B8SC
Chemical Name:
5-(azetidin-1-yl)-2-(piperidin-3-yl)-2,3-dihydropyridazin-3-one, carbonic acid
CAS Number:
1803595-23-4
Molecular Formula:
C13H20N4O4
Molecular Weight:
296.3223
MDL Number:
MFCD28348103
IUPAC Name:
5-(azetidin-1-yl)-2-piperidin-3-ylpyridazin-3-one;carbonic acid
InChI:
InChI=1S/C12H18N4O.CH2O3/c17-12-7-11(15-5-2-6-15)9-14-16(12)10-3-1-4-13-8-10;2-1(3)4/h7,9-10,13H,1-6,8H2;(H2,2,3,4)
InChI Key:
LRIYZDWQVJPIOL-UHFFFAOYSA-N
SMILES:
O=c1cc(cnn1C1CCCNC1)N1CCC1.OC(=O)O
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.327g/mol
Monoisotopic Mass:
296.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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