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

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

CAS No.:
1394041-13-4
Catalog Number:
AG01A02R
Molecular Formula:
C8H16Cl2N4
Molecular Weight:
239.1454
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Product Description
Catalog Number:
AG01A02R
Chemical Name:
3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride
CAS Number:
1394041-13-4
Molecular Formula:
C8H16Cl2N4
Molecular Weight:
239.1454
MDL Number:
MFCD22375423
IUPAC Name:
3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
InChI:
InChI=1S/C8H14N4.2ClH/c1-6(2)8-11-10-7-5-9-3-4-12(7)8;;/h6,9H,3-5H2,1-2H3;2*1H
InChI Key:
YVMCJVURUWZTJK-UHFFFAOYSA-N
SMILES:
CC(c1nnc2n1CCNC2)C.Cl.Cl
Properties
Complexity:
159  
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:
3  
Isotope Atom Count:
0
Molecular Weight:
239.144g/mol
Monoisotopic Mass:
238.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties