tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate

C14H24N4O2 — CID 97056177

IUPACtert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2C(NC3CC3)=NC[C@@H]2C1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-6-7-18-11(9-17)8-15-12(18)16-10-4-5-10/h10-11H,4-9H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyYCQZYBCOGTVZFN-LLVKDONJSA-N
MW280.37 g/mol
LogP1.03
Rot. Bonds1

About tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 97056177) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID97056177
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2C(NC3CC3)=NC[C@@H]2C1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-6-7-18-11(9-17)8-15-12(18)16-10-4-5-10/h10-11H,4-9H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyYCQZYBCOGTVZFN-LLVKDONJSA-N
XLogP1.03
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 97056177) is tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCN2C(NC3CC3)=NC[C@@H]2C1.
What is the InChIKey of tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is YCQZYBCOGTVZFN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-6-7-18-11(9-17)8-15-12(18)16-10-4-5-10/h10-11H,4-9H2,1-3H3,(H,15,16)/t11-/m1/s1.
What are the key properties of tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (8aR)-3-(cyclopropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 97056177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).