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

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

CAS No.:
1154708-01-6
Catalog Number:
AG01A7A3
Molecular Formula:
C9H17N5
Molecular Weight:
195.2648
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Product Description
Catalog Number:
AG01A7A3
Chemical Name:
1-[(dimethyl-4H-1,2,4-triazol-3-yl)methyl]piperazine
CAS Number:
1154708-01-6
Molecular Formula:
C9H17N5
Molecular Weight:
195.2648
MDL Number:
MFCD12191232
IUPAC Name:
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine
InChI:
InChI=1S/C9H17N5/c1-8-11-12-9(13(8)2)7-14-5-3-10-4-6-14/h10H,3-7H2,1-2H3
InChI Key:
SOCVPQWVIKNPAG-UHFFFAOYSA-N
SMILES:
Cc1nnc(n1C)CN1CCNCC1
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.148g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.27g/mol
Monoisotopic Mass:
195.148g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties