ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate

C11H13N3O2 — CID 12674613

IUPACethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate
SMILESCCOC(=O)C(C)c1cn2ccncc2n1
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)8(2)9-7-14-5-4-12-6-10(14)13-9/h4-8H,3H2,1-2H3
InChIKeyGKDBHGXOVCJKRA-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.40
Rot. Bonds3

About ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate

ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate (PubChem CID 12674613) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate
PubChem CID12674613
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate
SMILESCCOC(=O)C(C)c1cn2ccncc2n1
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)8(2)9-7-14-5-4-12-6-10(14)13-9/h4-8H,3H2,1-2H3
InChIKeyGKDBHGXOVCJKRA-UHFFFAOYSA-N
XLogP1.40
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate?
The IUPAC name of ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate (CID 12674613) is ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate?
The canonical SMILES for ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate is CCOC(=O)C(C)c1cn2ccncc2n1.
What is the InChIKey of ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate?
The InChIKey is GKDBHGXOVCJKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-16-11(15)8(2)9-7-14-5-4-12-6-10(14)13-9/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate?
ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate has a molecular weight of 219.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-imidazo[1,2-a]pyrazin-2-ylpropanoate is sourced from PubChem (CID 12674613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).