Home Carboxys tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazine-6-carboxylate

tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazine-6-carboxylate

CAS No.:
1803562-70-0
Catalog Number:
AG01B863
Molecular Formula:
C10H16N4O3
Molecular Weight:
240.2590
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B863
Chemical Name:
tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazine-6-carboxylate
CAS Number:
1803562-70-0
Molecular Formula:
C10H16N4O3
Molecular Weight:
240.2590
MDL Number:
MFCD28246401
IUPAC Name:
tert-butyl 3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
InChI:
InChI=1S/C10H16N4O3/c1-10(2,3)17-8(15)6-5-14-7(4-11-6)12-13-9(14)16/h6,11H,4-5H2,1-3H3,(H,13,16)
InChI Key:
JJLUTYMMLXORPG-UHFFFAOYSA-N
SMILES:
O=C(C1NCc2n(C1)c(=O)[nH]n2)OC(C)(C)C
Properties
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.122g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.263g/mol
Monoisotopic Mass:
240.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties