Home Other Building Blocks 1-(piperazin-1-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)ethan-1-one

1-(piperazin-1-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)ethan-1-one

CAS No.:
923183-58-8
Catalog Number:
AG019LNP
Molecular Formula:
C7H12N6O
Molecular Weight:
196.2098
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Product Description
Catalog Number:
AG019LNP
Chemical Name:
1-(piperazin-1-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)ethan-1-one
CAS Number:
923183-58-8
Molecular Formula:
C7H12N6O
Molecular Weight:
196.2098
MDL Number:
MFCD08444708
IUPAC Name:
1-piperazin-1-yl-2-(tetrazol-1-yl)ethanone
InChI:
InChI=1S/C7H12N6O/c14-7(5-13-6-9-10-11-13)12-3-1-8-2-4-12/h6,8H,1-5H2
InChI Key:
XVQGLWIQXHSHLQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCC1)Cn1cnnn1
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.107g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.214g/mol
Monoisotopic Mass:
196.107g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Properties