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

1-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine dihydrochloride

CAS No.:
1334146-67-6
Catalog Number:
AG01AKDG
Molecular Formula:
C8H17Cl2N5
Molecular Weight:
254.1601
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Product Description
Catalog Number:
AG01AKDG
Chemical Name:
1-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine dihydrochloride
CAS Number:
1334146-67-6
Molecular Formula:
C8H17Cl2N5
Molecular Weight:
254.1601
MDL Number:
MFCD19982532
IUPAC Name:
1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride
InChI:
InChI=1S/C8H15N5.2ClH/c1-3-12(4-2-9-1)5-6-13-8-10-7-11-13;;/h7-9H,1-6H2;2*1H
InChI Key:
BIXQZMIVOASQBL-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)CCn1ncnc1.Cl.Cl
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.086g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
254.159g/mol
Monoisotopic Mass:
253.086g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties