Home Other Building Blocks 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol dihydrochloride

5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol dihydrochloride

CAS No.:
1354953-17-5
Catalog Number:
AG019SJ3
Molecular Formula:
C6H12Cl2N4O
Molecular Weight:
227.0917
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Product Description
Catalog Number:
AG019SJ3
Chemical Name:
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol dihydrochloride
CAS Number:
1354953-17-5
Molecular Formula:
C6H12Cl2N4O
Molecular Weight:
227.0917
MDL Number:
MFCD20502110
IUPAC Name:
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride
InChI:
InChI=1S/C6H10N4O.2ClH/c11-4-6-9-8-5-3-7-1-2-10(5)6;;/h7,11H,1-4H2;2*1H
InChI Key:
QPCCBBKCWDXEIR-UHFFFAOYSA-N
SMILES:
OCc1nnc2n1CCNC2.Cl.Cl
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.039g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
227.089g/mol
Monoisotopic Mass:
226.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties