8-methoxy-3-nitroimidazo[1,2-a]pyrazine

C7H6N4O3 — CID 10631647

IUPAC8-methoxy-3-nitroimidazo[1,2-a]pyrazine
SMILESCOc1nccn2c([N+](=O)[O-])cnc12
InChIInChI=1S/C7H6N4O3/c1-14-7-6-9-4-5(11(12)13)10(6)3-2-8-7/h2-4H,1H3
InChIKeyUWCXTVVGOGFVDW-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.65
Rot. Bonds2

About 8-methoxy-3-nitroimidazo[1,2-a]pyrazine

8-methoxy-3-nitroimidazo[1,2-a]pyrazine (PubChem CID 10631647) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 8-methoxy-3-nitroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methoxy-3-nitroimidazo[1,2-a]pyrazine
PubChem CID10631647
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name8-methoxy-3-nitroimidazo[1,2-a]pyrazine
SMILESCOc1nccn2c([N+](=O)[O-])cnc12
InChIInChI=1S/C7H6N4O3/c1-14-7-6-9-4-5(11(12)13)10(6)3-2-8-7/h2-4H,1H3
InChIKeyUWCXTVVGOGFVDW-UHFFFAOYSA-N
XLogP0.65
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 8-methoxy-3-nitroimidazo[1,2-a]pyrazine?
The IUPAC name of 8-methoxy-3-nitroimidazo[1,2-a]pyrazine (CID 10631647) is 8-methoxy-3-nitroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methoxy-3-nitroimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methoxy-3-nitroimidazo[1,2-a]pyrazine is COc1nccn2c([N+](=O)[O-])cnc12.
What is the InChIKey of 8-methoxy-3-nitroimidazo[1,2-a]pyrazine?
The InChIKey is UWCXTVVGOGFVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c1-14-7-6-9-4-5(11(12)13)10(6)3-2-8-7/h2-4H,1H3.
What are the key properties of 8-methoxy-3-nitroimidazo[1,2-a]pyrazine?
8-methoxy-3-nitroimidazo[1,2-a]pyrazine has a molecular weight of 194.15 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-nitroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 10631647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).