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Home > Pyridines > 1803561-85-4
1803561-85-4 | 5-(4-hydroxypiperidin-1-yl)-2-(piperidin-3-yl)-2,3-dihydropyridazin-3-one, carbonic acid
CAS No: 1803561-85-4 Catalog No: AG01B9CH MDL No:MFCD28383815
Product Description
Catalog Number:
AG01B9CH
Chemical Name:
5-(4-hydroxypiperidin-1-yl)-2-(piperidin-3-yl)-2,3-dihydropyridazin-3-one, carbonic acid
CAS Number:
1803561-85-4
Molecular Formula:
C15H24N4O5
Molecular Weight:
340.3749
MDL Number:
MFCD28383815
IUPAC Name:
carbonic acid;5-(4-hydroxypiperidin-1-yl)-2-piperidin-3-ylpyridazin-3-one
InChI:
InChI=1S/C14H22N4O2.CH2O3/c19-13-3-6-17(7-4-13)12-8-14(20)18(16-10-12)11-2-1-5-15-9-11;2-1(3)4/h8,10-11,13,15,19H,1-7,9H2;(H2,2,3,4)
InChI Key:
RLZLDBVPHFCZIY-UHFFFAOYSA-N
SMILES:
OC1CCN(CC1)c1cnn(c(=O)c1)C1CCCNC1.OC(=O)O
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.175g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
340.38g/mol
Monoisotopic Mass:
340.175g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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