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

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

CAS No.:
67869-95-8
Catalog Number:
AG01B1TU
Molecular Formula:
C7H13N5
Molecular Weight:
167.2116
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Product Description
Catalog Number:
AG01B1TU
Chemical Name:
1-(4-methyl-4H-1,2,4-triazol-3-yl)piperazine
CAS Number:
67869-95-8
Molecular Formula:
C7H13N5
Molecular Weight:
167.2116
MDL Number:
MFCD27979337
IUPAC Name:
1-(4-methyl-1,2,4-triazol-3-yl)piperazine
InChI:
InChI=1S/C7H13N5/c1-11-6-9-10-7(11)12-4-2-8-3-5-12/h6,8H,2-5H2,1H3
InChI Key:
OEQQSRKLXHARQU-UHFFFAOYSA-N
SMILES:
Cn1cnnc1N1CCNCC1
Properties
Complexity:
145  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
167.216g/mol
Monoisotopic Mass:
167.117g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties