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

C15H14N4O4 — CID 126469343

IUPAC5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCOCCn1c(=O)[nH]c2nc(-c3ccc4c(c3)OCO4)cnc21
InChIInChI=1S/C15H14N4O4/c1-21-5-4-19-14-13(18-15(19)20)17-10(7-16-14)9-2-3-11-12(6-9)23-8-22-11/h2-3,6-7H,4-5,8H2,1H3,(H,17,18,20)
InChIKeyWXONIJVYZMMTOP-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.16
Rot. Bonds4

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

5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126469343) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126469343
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCOCCn1c(=O)[nH]c2nc(-c3ccc4c(c3)OCO4)cnc21
InChIInChI=1S/C15H14N4O4/c1-21-5-4-19-14-13(18-15(19)20)17-10(7-16-14)9-2-3-11-12(6-9)23-8-22-11/h2-3,6-7H,4-5,8H2,1H3,(H,17,18,20)
InChIKeyWXONIJVYZMMTOP-UHFFFAOYSA-N
XLogP1.16
TPSA91.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one (CID 126469343) is 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one is COCCn1c(=O)[nH]c2nc(-c3ccc4c(c3)OCO4)cnc21.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is WXONIJVYZMMTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-21-5-4-19-14-13(18-15(19)20)17-10(7-16-14)9-2-3-11-12(6-9)23-8-22-11/h2-3,6-7H,4-5,8H2,1H3,(H,17,18,20).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one?
5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 314.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126469343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).