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Home > Pyridines > 159430-52-1
159430-52-1 | 3(2H)-Pyridazinone, 5-(1-piperazinyl)-
CAS No: 159430-52-1 Catalog No: AG001QOI MDL No:MFCD18836342
Product Description
Catalog Number:
AG001QOI
Chemical Name:
3(2H)-Pyridazinone, 5-(1-piperazinyl)-
CAS Number:
159430-52-1
Molecular Formula:
C8H12N4O
Molecular Weight:
180.2071
MDL Number:
MFCD18836342
IUPAC Name:
4-piperazin-1-yl-1H-pyridazin-6-one
InChI:
InChI=1S/C8H12N4O/c13-8-5-7(6-10-11-8)12-3-1-9-2-4-12/h5-6,9H,1-4H2,(H,11,13)
InChI Key:
VJNSHKQLJBJICT-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncc(c1)N1CCNCC1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.211g/mol
Monoisotopic Mass:
180.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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