Home Other Building Blocks 1-(pyrazin-2-yl)piperidin-4-one

1-(pyrazin-2-yl)piperidin-4-one

CAS No.:
116247-99-5
Catalog Number:
AG019UJB
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
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Product Description
Catalog Number:
AG019UJB
Chemical Name:
1-(pyrazin-2-yl)piperidin-4-one
CAS Number:
116247-99-5
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
MDL Number:
MFCD09931195
IUPAC Name:
1-pyrazin-2-ylpiperidin-4-one
InChI:
InChI=1S/C9H11N3O/c13-8-1-5-12(6-2-8)9-7-10-3-4-11-9/h3-4,7H,1-2,5-6H2
InChI Key:
XPCSQADQDLPZMM-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)c1nccnc1
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties