Home Other Building Blocks 3-phenyl-5-(pyrrolidin-2-yl)-1H-1,2,4-triazole hydrochloride

3-phenyl-5-(pyrrolidin-2-yl)-1H-1,2,4-triazole hydrochloride

CAS No.:
1423031-50-8
Catalog Number:
AG01A2TY
Molecular Formula:
C12H15ClN4
Molecular Weight:
250.7273
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Product Description
Catalog Number:
AG01A2TY
Chemical Name:
3-phenyl-5-(pyrrolidin-2-yl)-1H-1,2,4-triazole hydrochloride
CAS Number:
1423031-50-8
Molecular Formula:
C12H15ClN4
Molecular Weight:
250.7273
MDL Number:
MFCD22578741
IUPAC Name:
3-phenyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C12H14N4.ClH/c1-2-5-9(6-3-1)11-14-12(16-15-11)10-7-4-8-13-10;/h1-3,5-6,10,13H,4,7-8H2,(H,14,15,16);1H
InChI Key:
KXWYCWCPQKEEBK-UHFFFAOYSA-N
SMILES:
C1CNC(C1)c1[nH]nc(n1)c1ccccc1.Cl
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.099g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
250.73g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties