Home Other Building Blocks 3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride

3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride

CAS No.:
1803600-63-6
Catalog Number:
AG01BGKT
Molecular Formula:
C6H10Cl2F2N4
Molecular Weight:
247.0732
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Product Description
Catalog Number:
AG01BGKT
Chemical Name:
3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride
CAS Number:
1803600-63-6
Molecular Formula:
C6H10Cl2F2N4
Molecular Weight:
247.0732
MDL Number:
MFCD28125174
IUPAC Name:
3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
InChI:
InChI=1S/C6H8F2N4.2ClH/c7-5(8)6-11-10-4-3-9-1-2-12(4)6;;/h5,9H,1-3H2;2*1H
InChI Key:
PTPDODCKENBEPW-UHFFFAOYSA-N
SMILES:
FC(c1nnc2n1CCNC2)F.Cl.Cl
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
247.071g/mol
Monoisotopic Mass:
246.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties