Home Other Building Blocks 4-{[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]methyl}piperidine dihydrochloride

4-{[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]methyl}piperidine dihydrochloride

CAS No.:
1955539-77-1
Catalog Number:
AG01C5LV
Molecular Formula:
C11H22Cl2N4
Molecular Weight:
281.2252
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Product Description
Catalog Number:
AG01C5LV
Chemical Name:
4-{[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]methyl}piperidine dihydrochloride
CAS Number:
1955539-77-1
Molecular Formula:
C11H22Cl2N4
Molecular Weight:
281.2252
MDL Number:
MFCD29991425
IUPAC Name:
4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine;dihydrochloride
InChI:
InChI=1S/C11H20N4.2ClH/c1-8(2)11-13-10(14-15-11)7-9-3-5-12-6-4-9;;/h8-9,12H,3-7H2,1-2H3,(H,13,14,15);2*1H
InChI Key:
QOAAYVDXCHMMOI-UHFFFAOYSA-N
SMILES:
CC(c1[nH]nc(n1)CC1CCNCC1)C.Cl.Cl
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.122g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
281.225g/mol
Monoisotopic Mass:
280.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties