1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine

C12H19N3OS — CID 143465311

IUPAC1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine
SMILESCCCCOC.CSc1nccn2ccnc12
InChIInChI=1S/C7H7N3S.C5H12O/c1-11-7-6-8-2-4-10(6)5-3-9-7;1-3-4-5-6-2/h2-5H,1H3;3-5H2,1-2H3
InChIKeyPDCZNIDLMBTBNA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.88
Rot. Bonds4

About 1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine

1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine (PubChem CID 143465311) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine
PubChem CID143465311
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine
SMILESCCCCOC.CSc1nccn2ccnc12
InChIInChI=1S/C7H7N3S.C5H12O/c1-11-7-6-8-2-4-10(6)5-3-9-7;1-3-4-5-6-2/h2-5H,1H3;3-5H2,1-2H3
InChIKeyPDCZNIDLMBTBNA-UHFFFAOYSA-N
XLogP2.88
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine?
The IUPAC name of 1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine (CID 143465311) is 1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine?
The canonical SMILES for 1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine is CCCCOC.CSc1nccn2ccnc12.
What is the InChIKey of 1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine?
The InChIKey is PDCZNIDLMBTBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S.C5H12O/c1-11-7-6-8-2-4-10(6)5-3-9-7;1-3-4-5-6-2/h2-5H,1H3;3-5H2,1-2H3.
What are the key properties of 1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine?
1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine has a molecular weight of 253.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 143465311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).