Home Halogens 3-bromo-5-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyridine trihydrochloride

3-bromo-5-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyridine trihydrochloride

CAS No.:
1803588-43-3
Catalog Number:
AG01BG4C
Molecular Formula:
C10H13BrCl3N5
Molecular Weight:
389.5067
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Product Description
Catalog Number:
AG01BG4C
Chemical Name:
3-bromo-5-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyridine trihydrochloride
CAS Number:
1803588-43-3
Molecular Formula:
C10H13BrCl3N5
Molecular Weight:
389.5067
MDL Number:
MFCD28118833
IUPAC Name:
3-(5-bromopyridin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;trihydrochloride
InChI:
InChI=1S/C10H10BrN5.3ClH/c11-8-3-7(4-13-5-8)10-15-14-9-6-12-1-2-16(9)10;;;/h3-5,12H,1-2,6H2;3*1H
InChI Key:
FNJAPWIYOAWMCF-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)c1nnc2n1CCNC2.Cl.Cl.Cl
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.942g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
389.503g/mol
Monoisotopic Mass:
386.942g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties