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

2-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine hydrochloride

CAS No.:
1803610-12-9
Catalog Number:
AG01ALY7
Molecular Formula:
C10H19ClN4
Molecular Weight:
230.7377
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Product Description
Catalog Number:
AG01ALY7
Chemical Name:
2-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine hydrochloride
CAS Number:
1803610-12-9
Molecular Formula:
C10H19ClN4
Molecular Weight:
230.7377
MDL Number:
MFCD28968299
IUPAC Name:
2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride
InChI:
InChI=1S/C10H18N4.ClH/c1-7(2)9-12-10(14-13-9)8-5-3-4-6-11-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13,14);1H
InChI Key:
VUGBFTQJRRAASO-UHFFFAOYSA-N
SMILES:
CC(c1[nH]nc(n1)C1CCCCN1)C.Cl
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.13g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
230.74g/mol
Monoisotopic Mass:
230.13g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties