2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate

C11H12N4O5 — CID 155510862

IUPAC2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate
SMILESCC(=O)OCCn1c(C)cn2cc([N+](=O)[O-])nc2c1=O
InChIInChI=1S/C11H12N4O5/c1-7-5-13-6-9(15(18)19)12-10(13)11(17)14(7)3-4-20-8(2)16/h5-6H,3-4H2,1-2H3
InChIKeyQRWIRJZCRIDYJD-UHFFFAOYSA-N
MW280.24 g/mol
LogP0.28
Rot. Bonds4

About 2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate

2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate (PubChem CID 155510862) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate.

Molecular Properties

Compound Name2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate
PubChem CID155510862
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC Name2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate
SMILESCC(=O)OCCn1c(C)cn2cc([N+](=O)[O-])nc2c1=O
InChIInChI=1S/C11H12N4O5/c1-7-5-13-6-9(15(18)19)12-10(13)11(17)14(7)3-4-20-8(2)16/h5-6H,3-4H2,1-2H3
InChIKeyQRWIRJZCRIDYJD-UHFFFAOYSA-N
XLogP0.28
TPSA108.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate?
The IUPAC name of 2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate (CID 155510862) is 2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate.
What is the SMILES notation for 2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate?
The canonical SMILES for 2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate is CC(=O)OCCn1c(C)cn2cc([N+](=O)[O-])nc2c1=O.
What is the InChIKey of 2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate?
The InChIKey is QRWIRJZCRIDYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5/c1-7-5-13-6-9(15(18)19)12-10(13)11(17)14(7)3-4-20-8(2)16/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate?
2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate has a molecular weight of 280.24 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)ethyl acetate is sourced from PubChem (CID 155510862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).