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

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

CAS No.:
1803570-14-0
Catalog Number:
AG01BHQ1
Molecular Formula:
C11H18N4O2
Molecular Weight:
238.2862
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Product Description
Catalog Number:
AG01BHQ1
Chemical Name:
tert-butyl 3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
CAS Number:
1803570-14-0
Molecular Formula:
C11H18N4O2
Molecular Weight:
238.2862
MDL Number:
MFCD28246281
IUPAC Name:
tert-butyl 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
InChI:
InChI=1S/C11H18N4O2/c1-7-13-14-9-5-12-8(6-15(7)9)10(16)17-11(2,3)4/h8,12H,5-6H2,1-4H3
InChI Key:
CJPJLOYXBZBRPF-UHFFFAOYSA-N
SMILES:
O=C(C1NCc2n(C1)c(C)nn2)OC(C)(C)C
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.143g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.291g/mol
Monoisotopic Mass:
238.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties