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Home > Pyridines > 901886-38-2
901886-38-2 | 2-(4-piperidinyl)-6-(2-thienyl)-3(2H)-pyridazinone
CAS No: 901886-38-2 Catalog No: AG00H4IU MDL No:MFCD06809668
Product Description
Catalog Number:
AG00H4IU
Chemical Name:
2-(4-piperidinyl)-6-(2-thienyl)-3(2H)-pyridazinone
CAS Number:
901886-38-2
Molecular Formula:
C13H15N3OS
Molecular Weight:
261.3427
MDL Number:
MFCD06809668
IUPAC Name:
2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride
InChI:
InChI=1S/C13H15N3OS.ClH/c17-13-4-3-11(12-2-1-9-18-12)15-16(13)10-5-7-14-8-6-10;/h1-4,9-10,14H,5-8H2;1H
InChI Key:
KLHBUUBGZHOGKQ-UHFFFAOYSA-N
SMILES:
O=c1ccc(nn1C1CCNCC1)c1cccs1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.801g/mol
Monoisotopic Mass:
297.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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