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

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

CAS No.:
1248218-07-6
Catalog Number:
AG01C4SG
Molecular Formula:
C7H13N5
Molecular Weight:
167.2116
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Product Description
Catalog Number:
AG01C4SG
Chemical Name:
1-[(1H-1,2,4-triazol-3-yl)methyl]piperazine
CAS Number:
1248218-07-6
Molecular Formula:
C7H13N5
Molecular Weight:
167.2116
MDL Number:
MFCD16705465
IUPAC Name:
1-(1H-1,2,4-triazol-5-ylmethyl)piperazine
InChI:
InChI=1S/C7H13N5/c1-3-12(4-2-8-1)5-7-9-6-10-11-7/h6,8H,1-5H2,(H,9,10,11)
InChI Key:
SZIIDHOJJHWLHH-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1n[nH]cn1
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.117g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.216g/mol
Monoisotopic Mass:
167.117g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties