8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine

C11H12ClN3O — CID 163278827

IUPAC8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine
SMILESC=CCCOCc1nc(Cl)cn2ccnc12
InChIInChI=1S/C11H12ClN3O/c1-2-3-6-16-8-9-11-13-4-5-15(11)7-10(12)14-9/h2,4-5,7H,1,3,6,8H2
InChIKeyILUZNAHECLVVOV-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.48
Rot. Bonds5

About 8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine

8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine (PubChem CID 163278827) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine
PubChem CID163278827
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine
SMILESC=CCCOCc1nc(Cl)cn2ccnc12
InChIInChI=1S/C11H12ClN3O/c1-2-3-6-16-8-9-11-13-4-5-15(11)7-10(12)14-9/h2,4-5,7H,1,3,6,8H2
InChIKeyILUZNAHECLVVOV-UHFFFAOYSA-N
XLogP2.48
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine?
The IUPAC name of 8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine (CID 163278827) is 8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine is C=CCCOCc1nc(Cl)cn2ccnc12.
What is the InChIKey of 8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine?
The InChIKey is ILUZNAHECLVVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-2-3-6-16-8-9-11-13-4-5-15(11)7-10(12)14-9/h2,4-5,7H,1,3,6,8H2.
What are the key properties of 8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine?
8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine has a molecular weight of 237.69 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 163278827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).