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

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

CAS No.:
1225218-71-2
Catalog Number:
AG01C5OT
Molecular Formula:
C8H14N4
Molecular Weight:
166.2236
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Product Description
Catalog Number:
AG01C5OT
Chemical Name:
4-[(4H-1,2,4-triazol-4-yl)methyl]piperidine
CAS Number:
1225218-71-2
Molecular Formula:
C8H14N4
Molecular Weight:
166.2236
MDL Number:
MFCD29991452
IUPAC Name:
4-(1,2,4-triazol-4-ylmethyl)piperidine
InChI:
InChI=1S/C8H14N4/c1-3-9-4-2-8(1)5-12-6-10-11-7-12/h6-9H,1-5H2
InChI Key:
ITPGEBNEESCNKC-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Cn1cnnc1
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.122g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.228g/mol
Monoisotopic Mass:
166.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties