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

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

CAS No.:
1361116-16-6
Catalog Number:
AG01BUBY
Molecular Formula:
C7H14Cl2N4
Molecular Weight:
225.1189
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Product Description
Catalog Number:
AG01BUBY
Chemical Name:
4-methyl-3-(pyrrolidin-3-yl)-4H-1,2,4-triazole dihydrochloride
CAS Number:
1361116-16-6
Molecular Formula:
C7H14Cl2N4
Molecular Weight:
225.1189
MDL Number:
MFCD21606130
IUPAC Name:
4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride
InChI:
InChI=1S/C7H12N4.2ClH/c1-11-5-9-10-7(11)6-2-3-8-4-6;;/h5-6,8H,2-4H2,1H3;2*1H
InChI Key:
BWIFZFGGCXONMJ-UHFFFAOYSA-N
SMILES:
Cn1cnnc1C1CNCC1.Cl.Cl
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
225.117g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties