tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate

C11H20N4O2 — CID 75512886

IUPACtert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2C(N)=NCC2C1
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14-4-5-15-8(7-14)6-13-9(15)12/h8H,4-7H2,1-3H3,(H2,12,13)
InChIKeyYBVLOCGLGNQMRA-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.24
Rot. Bonds

About tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 75512886) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID75512886
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Nametert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2C(N)=NCC2C1
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14-4-5-15-8(7-14)6-13-9(15)12/h8H,4-7H2,1-3H3,(H2,12,13)
InChIKeyYBVLOCGLGNQMRA-UHFFFAOYSA-N
XLogP0.24
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 75512886) is tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCN2C(N)=NCC2C1.
What is the InChIKey of tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is YBVLOCGLGNQMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14-4-5-15-8(7-14)6-13-9(15)12/h8H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 240.31 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 75512886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).