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Home > Pyridines > 1955531-01-7
1955531-01-7 | 5-(3-hydroxypyrrolidin-1-yl)-2-(piperidin-3-yl)-2,3-dihydropyridazin-3-one, carbonic acid
CAS No: 1955531-01-7 Catalog No: AG01B4K3 MDL No:MFCD30180783
Product Description
Catalog Number:
AG01B4K3
Chemical Name:
5-(3-hydroxypyrrolidin-1-yl)-2-(piperidin-3-yl)-2,3-dihydropyridazin-3-one, carbonic acid
CAS Number:
1955531-01-7
Molecular Formula:
C14H22N4O5
Molecular Weight:
326.3483
MDL Number:
MFCD30180783
IUPAC Name:
carbonic acid;5-(3-hydroxypyrrolidin-1-yl)-2-piperidin-3-ylpyridazin-3-one
InChI:
InChI=1S/C13H20N4O2.CH2O3/c18-12-3-5-16(9-12)11-6-13(19)17(15-8-11)10-2-1-4-14-7-10;2-1(3)4/h6,8,10,12,14,18H,1-5,7,9H2;(H2,2,3,4)
InChI Key:
FTLDILHVOPFWQY-UHFFFAOYSA-N
SMILES:
OC1CCN(C1)c1cnn(c(=O)c1)C1CCCNC1.OC(=O)O
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
326.353g/mol
Monoisotopic Mass:
326.159g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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