Home Other Building Blocks TERT-BUTYL 3-IODO-6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZINE-5(4H)-CARBOXYLATE

TERT-BUTYL 3-IODO-6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZINE-5(4H)-CARBOXYLATE

CAS No.:
1823229-68-0
Catalog Number:
AG01DZ1W
Molecular Formula:
C11H16IN3O2
Molecular Weight:
349.1681
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Product Description
Catalog Number:
AG01DZ1W
Chemical Name:
TERT-BUTYL 3-IODO-6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZINE-5(4H)-CARBOXYLATE
CAS Number:
1823229-68-0
Molecular Formula:
C11H16IN3O2
Molecular Weight:
349.1681
IUPAC Name:
tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
InChI:
InChI=1S/C11H16IN3O2/c1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15/h6H,4-5,7H2,1-3H3
InChI Key:
OOLRKPDIKPSMSQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCn2c(C1)c(I)cn2)OC(C)(C)C
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.029g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.172g/mol
Monoisotopic Mass:
349.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties