8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine

C11H14ClN3 — CID 123649523

IUPAC8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine
SMILESCCc1nc(C(C)C)n2ccnc(Cl)c12
InChIInChI=1S/C11H14ClN3/c1-4-8-9-10(12)13-5-6-15(9)11(14-8)7(2)3/h5-7H,4H2,1-3H3
InChIKeyXCEQCBQJEYWUEH-UHFFFAOYSA-N
MW223.71 g/mol
LogP3.07
Rot. Bonds2

About 8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine

8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine (PubChem CID 123649523) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine
PubChem CID123649523
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine
SMILESCCc1nc(C(C)C)n2ccnc(Cl)c12
InChIInChI=1S/C11H14ClN3/c1-4-8-9-10(12)13-5-6-15(9)11(14-8)7(2)3/h5-7H,4H2,1-3H3
InChIKeyXCEQCBQJEYWUEH-UHFFFAOYSA-N
XLogP3.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine?
The IUPAC name of 8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine (CID 123649523) is 8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine.
What is the SMILES notation for 8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine?
The canonical SMILES for 8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine is CCc1nc(C(C)C)n2ccnc(Cl)c12.
What is the InChIKey of 8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine?
The InChIKey is XCEQCBQJEYWUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-4-8-9-10(12)13-5-6-15(9)11(14-8)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine?
8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine has a molecular weight of 223.71 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-ethyl-3-propan-2-ylimidazo[1,5-a]pyrazine is sourced from PubChem (CID 123649523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).