7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one

C8H8N4O4 — CID 155568858

IUPAC7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one
SMILESO=c1c2nc([N+](=O)[O-])cn2ccn1CCO
InChIInChI=1S/C8H8N4O4/c13-4-3-10-1-2-11-5-6(12(15)16)9-7(11)8(10)14/h1-2,5,13H,3-4H2
InChIKeyPDMLTZHCHBYUIE-UHFFFAOYSA-N
MW224.18 g/mol
LogP-0.60
Rot. Bonds3

About 7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one

7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one (PubChem CID 155568858) has the molecular formula C8H8N4O4 and a molecular weight of 224.18 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one
PubChem CID155568858
Molecular FormulaC8H8N4O4
Molecular Weight224.18 g/mol
Exact Mass224.05
IUPAC Name7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one
SMILESO=c1c2nc([N+](=O)[O-])cn2ccn1CCO
InChIInChI=1S/C8H8N4O4/c13-4-3-10-1-2-11-5-6(12(15)16)9-7(11)8(10)14/h1-2,5,13H,3-4H2
InChIKeyPDMLTZHCHBYUIE-UHFFFAOYSA-N
XLogP-0.60
TPSA102.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one (CID 155568858) is 7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one is O=c1c2nc([N+](=O)[O-])cn2ccn1CCO.
What is the InChIKey of 7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one?
The InChIKey is PDMLTZHCHBYUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4/c13-4-3-10-1-2-11-5-6(12(15)16)9-7(11)8(10)14/h1-2,5,13H,3-4H2.
What are the key properties of 7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one?
7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one has a molecular weight of 224.18 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 155568858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).