Home Other Building Blocks 3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}piperidine hydrochloride

3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}piperidine hydrochloride

CAS No.:
1258651-73-8
Catalog Number:
AG01AB4D
Molecular Formula:
C10H17ClN4
Molecular Weight:
228.7218
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Product Description
Catalog Number:
AG01AB4D
Chemical Name:
3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}piperidine hydrochloride
CAS Number:
1258651-73-8
Molecular Formula:
C10H17ClN4
Molecular Weight:
228.7218
MDL Number:
MFCD17977057
IUPAC Name:
3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride
InChI:
InChI=1S/C10H16N4.ClH/c1-3-8(7-11-5-1)10-13-12-9-4-2-6-14(9)10;/h8,11H,1-7H2;1H
InChI Key:
XDDXARQEXRBUHS-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)c1nnc2n1CCC2.Cl
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.114g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.724g/mol
Monoisotopic Mass:
228.114g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties