Home Other Building Blocks 2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride

2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride

CAS No.:
1803560-93-1
Catalog Number:
AG01B8BL
Molecular Formula:
C8H16Cl2N4
Molecular Weight:
239.1454
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Product Description
Catalog Number:
AG01B8BL
Chemical Name:
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CAS Number:
1803560-93-1
Molecular Formula:
C8H16Cl2N4
Molecular Weight:
239.1454
MDL Number:
MFCD28246462
IUPAC Name:
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride
InChI:
InChI=1S/C8H14N4.2ClH/c1-6-10-8(12-11-6)7-4-2-3-5-9-7;;/h7,9H,2-5H2,1H3,(H,10,11,12);2*1H
InChI Key:
KLGXRCIKIFRJMZ-UHFFFAOYSA-N
SMILES:
Cc1[nH]nc(n1)C1CCCCN1.Cl.Cl
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
239.144g/mol
Monoisotopic Mass:
238.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties