Home Carboxys 3,7-dimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid dihydrochloride

3,7-dimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid dihydrochloride

CAS No.:
2031259-29-5
Catalog Number:
AG01B799
Molecular Formula:
C8H14Cl2N4O2
Molecular Weight:
269.1284
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Product Description
Catalog Number:
AG01B799
Chemical Name:
3,7-dimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid dihydrochloride
CAS Number:
2031259-29-5
Molecular Formula:
C8H14Cl2N4O2
Molecular Weight:
269.1284
MDL Number:
MFCD30345197
IUPAC Name:
3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C8H12N4O2.2ClH/c1-5-9-10-7-4-11(2)6(8(13)14)3-12(5)7;;/h6H,3-4H2,1-2H3,(H,13,14);2*1H
InChI Key:
WBKMUVJKFQORMD-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cn2c(C)nnc2CN1C.Cl.Cl
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.049g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
269.126g/mol
Monoisotopic Mass:
268.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties