7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one

C9H10N4O4 — CID 155563978

IUPAC7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one
SMILESCc1cn2cc([N+](=O)[O-])nc2c(=O)n1CCO
InChIInChI=1S/C9H10N4O4/c1-6-4-11-5-7(13(16)17)10-8(11)9(15)12(6)2-3-14/h4-5,14H,2-3H2,1H3
InChIKeyDMGJEMKQMYZSMH-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.30
Rot. Bonds3

About 7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one

7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one (PubChem CID 155563978) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one
PubChem CID155563978
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one
SMILESCc1cn2cc([N+](=O)[O-])nc2c(=O)n1CCO
InChIInChI=1S/C9H10N4O4/c1-6-4-11-5-7(13(16)17)10-8(11)9(15)12(6)2-3-14/h4-5,14H,2-3H2,1H3
InChIKeyDMGJEMKQMYZSMH-UHFFFAOYSA-N
XLogP-0.30
TPSA102.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.30
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'}

Analyze 7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one (CID 155563978) is 7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one is Cc1cn2cc([N+](=O)[O-])nc2c(=O)n1CCO.
What is the InChIKey of 7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one?
The InChIKey is DMGJEMKQMYZSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c1-6-4-11-5-7(13(16)17)10-8(11)9(15)12(6)2-3-14/h4-5,14H,2-3H2,1H3.
What are the key properties of 7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one?
7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one has a molecular weight of 238.20 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 155563978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).