Home Other Building Blocks 3-(pyrrolidin-3-yl)-4H-1,2,4-triazole hydrochloride

3-(pyrrolidin-3-yl)-4H-1,2,4-triazole hydrochloride

CAS No.:
1909337-56-9
Catalog Number:
AG01C2R4
Molecular Formula:
C6H11ClN4
Molecular Weight:
174.6313
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Product Description
Catalog Number:
AG01C2R4
Chemical Name:
3-(pyrrolidin-3-yl)-4H-1,2,4-triazole hydrochloride
CAS Number:
1909337-56-9
Molecular Formula:
C6H11ClN4
Molecular Weight:
174.6313
MDL Number:
MFCD28399354
IUPAC Name:
5-pyrrolidin-3-yl-1H-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C6H10N4.ClH/c1-2-7-3-5(1)6-8-4-9-10-6;/h4-5,7H,1-3H2,(H,8,9,10);1H
InChI Key:
CPUMTODUDKTFGO-UHFFFAOYSA-N
SMILES:
C1NCC(C1)c1nnc[nH]1.Cl
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.067g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
174.632g/mol
Monoisotopic Mass:
174.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties