Home Other Building Blocks 1-[(1H-1,2,3,4-tetrazol-5-yl)methyl]piperazine

1-[(1H-1,2,3,4-tetrazol-5-yl)methyl]piperazine

CAS No.:
1249154-10-6
Catalog Number:
AG01DYL2
Molecular Formula:
C6H12N6
Molecular Weight:
168.1997
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Product Description
Catalog Number:
AG01DYL2
Chemical Name:
1-[(1H-1,2,3,4-tetrazol-5-yl)methyl]piperazine
CAS Number:
1249154-10-6
Molecular Formula:
C6H12N6
Molecular Weight:
168.1997
MDL Number:
MFCD14643783
IUPAC Name:
1-(2H-tetrazol-5-ylmethyl)piperazine
InChI:
InChI=1S/C6H12N6/c1-3-12(4-2-7-1)5-6-8-10-11-9-6/h7H,1-5H2,(H,8,9,10,11)
InChI Key:
XVHUTVXOJLTDME-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1nnn[nH]1
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.112g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
168.204g/mol
Monoisotopic Mass:
168.112g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties