Home Other Building Blocks N'-(pyrrolidin-3-yl)-2-(4H-1,2,4-triazol-3-yl)ethanimidamide trihydrochloride

N'-(pyrrolidin-3-yl)-2-(4H-1,2,4-triazol-3-yl)ethanimidamide trihydrochloride

CAS No.:
1807938-75-5
Catalog Number:
AG01BHHP
Molecular Formula:
C8H17Cl3N6
Molecular Weight:
303.6198
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Product Description
Catalog Number:
AG01BHHP
Chemical Name:
N'-(pyrrolidin-3-yl)-2-(4H-1,2,4-triazol-3-yl)ethanimidamide trihydrochloride
CAS Number:
1807938-75-5
Molecular Formula:
C8H17Cl3N6
Molecular Weight:
303.6198
MDL Number:
MFCD28145273
IUPAC Name:
N'-pyrrolidin-3-yl-2-(1H-1,2,4-triazol-5-yl)ethanimidamide;trihydrochloride
InChI:
InChI=1S/C8H14N6.3ClH/c9-7(3-8-11-5-12-14-8)13-6-1-2-10-4-6;;;/h5-6,10H,1-4H2,(H2,9,13)(H,11,12,14);3*1H
InChI Key:
PMRFARLGBRFRCR-UHFFFAOYSA-N
SMILES:
NC(=NC1CNCC1)Cc1nnc[nH]1.Cl.Cl.Cl
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.058g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
303.616g/mol
Monoisotopic Mass:
302.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties