tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

C15H23N3O3 — CID 71203037

IUPACtert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCC(C)C(=O)c1cn2c(n1)CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H23N3O3/c1-10(2)13(19)11-8-17-6-7-18(9-12(17)16-11)14(20)21-15(3,4)5/h8,10H,6-7,9H2,1-5H3
InChIKeyAJPKHBIWNKJJSL-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.47
Rot. Bonds2

About tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (PubChem CID 71203037) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
PubChem CID71203037
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCC(C)C(=O)c1cn2c(n1)CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H23N3O3/c1-10(2)13(19)11-8-17-6-7-18(9-12(17)16-11)14(20)21-15(3,4)5/h8,10H,6-7,9H2,1-5H3
InChIKeyAJPKHBIWNKJJSL-UHFFFAOYSA-N
XLogP2.47
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (CID 71203037) is tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is CC(C)C(=O)c1cn2c(n1)CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is AJPKHBIWNKJJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)13(19)11-8-17-6-7-18(9-12(17)16-11)14(20)21-15(3,4)5/h8,10H,6-7,9H2,1-5H3.
What are the key properties of tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 71203037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).