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

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

CAS No.:
1909319-47-6
Catalog Number:
AG01C3WH
Molecular Formula:
C6H12Cl2N4
Molecular Weight:
211.0923
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Product Description
Catalog Number:
AG01C3WH
Chemical Name:
3-(pyrrolidin-3-yl)-4H-1,2,4-triazole dihydrochloride
CAS Number:
1909319-47-6
Molecular Formula:
C6H12Cl2N4
Molecular Weight:
211.0923
MDL Number:
MFCD29762906
IUPAC Name:
5-pyrrolidin-3-yl-1H-1,2,4-triazole;dihydrochloride
InChI:
InChI=1S/C6H10N4.2ClH/c1-2-7-3-5(1)6-8-4-9-10-6;;/h4-5,7H,1-3H2,(H,8,9,10);2*1H
InChI Key:
RMRBZRRLYFWQBW-UHFFFAOYSA-N
SMILES:
C1NCC(C1)c1nnc[nH]1.Cl.Cl
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.044g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
211.09g/mol
Monoisotopic Mass:
210.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties