tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate

C11H12ClN3O2 — CID 133061951

IUPACtert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cn2ccnc(Cl)c2n1
InChIInChI=1S/C11H12ClN3O2/c1-11(2,3)17-10(16)7-6-15-5-4-13-8(12)9(15)14-7/h4-6H,1-3H3
InChIKeyJBZKVIMBJAMCJM-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.34
Rot. Bonds1

About tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate

tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 133061951) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID133061951
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Nametert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cn2ccnc(Cl)c2n1
InChIInChI=1S/C11H12ClN3O2/c1-11(2,3)17-10(16)7-6-15-5-4-13-8(12)9(15)14-7/h4-6H,1-3H3
InChIKeyJBZKVIMBJAMCJM-UHFFFAOYSA-N
XLogP2.34
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate (CID 133061951) is tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate is CC(C)(C)OC(=O)c1cn2ccnc(Cl)c2n1.
What is the InChIKey of tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is JBZKVIMBJAMCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-11(2,3)17-10(16)7-6-15-5-4-13-8(12)9(15)14-7/h4-6H,1-3H3.
What are the key properties of tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate?
tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 253.69 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 133061951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).