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

2-(4H-1,2,4-triazol-3-yl)piperidine hydrochloride

CAS No.:
1820735-50-9
Catalog Number:
AG01ANA1
Molecular Formula:
C7H13ClN4
Molecular Weight:
188.6579
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Product Description
Catalog Number:
AG01ANA1
Chemical Name:
2-(4H-1,2,4-triazol-3-yl)piperidine hydrochloride
CAS Number:
1820735-50-9
Molecular Formula:
C7H13ClN4
Molecular Weight:
188.6579
MDL Number:
MFCD29034201
IUPAC Name:
2-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride
InChI:
InChI=1S/C7H12N4.ClH/c1-2-4-8-6(3-1)7-9-5-10-11-7;/h5-6,8H,1-4H2,(H,9,10,11);1H
InChI Key:
WIQAWBUAPPZSFC-UHFFFAOYSA-N
SMILES:
C1CCC(NC1)c1nnc[nH]1.Cl
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.083g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
188.659g/mol
Monoisotopic Mass:
188.083g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties