Home Other Building Blocks 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N'-(pyrrolidin-3-yl)ethanimidamide trihydrochloride

2-(5-methyl-1H-1,2,4-triazol-3-yl)-N'-(pyrrolidin-3-yl)ethanimidamide trihydrochloride

CAS No.:
1807940-56-2
Catalog Number:
AG01BHHM
Molecular Formula:
C9H19Cl3N6
Molecular Weight:
317.6464
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Product Description
Catalog Number:
AG01BHHM
Chemical Name:
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N'-(pyrrolidin-3-yl)ethanimidamide trihydrochloride
CAS Number:
1807940-56-2
Molecular Formula:
C9H19Cl3N6
Molecular Weight:
317.6464
MDL Number:
MFCD28145271
IUPAC Name:
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N'-pyrrolidin-3-ylethanimidamide;trihydrochloride
InChI:
InChI=1S/C9H16N6.3ClH/c1-6-12-9(15-14-6)4-8(10)13-7-2-3-11-5-7;;;/h7,11H,2-5H2,1H3,(H2,10,13)(H,12,14,15);3*1H
InChI Key:
YSDCKZQBVJNSNE-UHFFFAOYSA-N
SMILES:
NC(=NC1CNCC1)Cc1n[nH]c(n1)C.Cl.Cl.Cl
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.074g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
317.643g/mol
Monoisotopic Mass:
316.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties