5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one

C13H14N4O3 — CID 126474943

IUPAC5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOCCCn1c(=O)[nH]c2ncc(-c3ccco3)nc21
InChIInChI=1S/C13H14N4O3/c1-19-6-3-5-17-12-11(16-13(17)18)14-8-9(15-12)10-4-2-7-20-10/h2,4,7-8H,3,5-6H2,1H3,(H,14,16,18)
InChIKeyDSOMKXGFWCXDAT-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.42
Rot. Bonds5

About 5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one

5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126474943) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126474943
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOCCCn1c(=O)[nH]c2ncc(-c3ccco3)nc21
InChIInChI=1S/C13H14N4O3/c1-19-6-3-5-17-12-11(16-13(17)18)14-8-9(15-12)10-4-2-7-20-10/h2,4,7-8H,3,5-6H2,1H3,(H,14,16,18)
InChIKeyDSOMKXGFWCXDAT-UHFFFAOYSA-N
XLogP1.42
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 126474943) is 5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one is COCCCn1c(=O)[nH]c2ncc(-c3ccco3)nc21.
What is the InChIKey of 5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is DSOMKXGFWCXDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-19-6-3-5-17-12-11(16-13(17)18)14-8-9(15-12)10-4-2-7-20-10/h2,4,7-8H,3,5-6H2,1H3,(H,14,16,18).
What are the key properties of 5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 274.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126474943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).