2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide

C8H7N5O4 — CID 155522597

IUPAC2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide
SMILESNC(=O)Cn1ccn2cc([N+](=O)[O-])nc2c1=O
InChIInChI=1S/C8H7N5O4/c9-5(14)3-12-2-1-11-4-6(13(16)17)10-7(11)8(12)15/h1-2,4H,3H2,(H2,9,14)
InChIKeyRGBUYBCOBSWYEZ-UHFFFAOYSA-N
MW237.17 g/mol
LogP-1.11
Rot. Bonds3

About 2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide

2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide (PubChem CID 155522597) has the molecular formula C8H7N5O4 and a molecular weight of 237.17 g/mol. Its IUPAC name is 2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide
PubChem CID155522597
Molecular FormulaC8H7N5O4
Molecular Weight237.17 g/mol
Exact Mass237.05
IUPAC Name2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide
SMILESNC(=O)Cn1ccn2cc([N+](=O)[O-])nc2c1=O
InChIInChI=1S/C8H7N5O4/c9-5(14)3-12-2-1-11-4-6(13(16)17)10-7(11)8(12)15/h1-2,4H,3H2,(H2,9,14)
InChIKeyRGBUYBCOBSWYEZ-UHFFFAOYSA-N
XLogP-1.11
TPSA125.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 5-1.11
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 2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide?
The IUPAC name of 2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide (CID 155522597) is 2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide.
What is the SMILES notation for 2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide?
The canonical SMILES for 2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide is NC(=O)Cn1ccn2cc([N+](=O)[O-])nc2c1=O.
What is the InChIKey of 2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide?
The InChIKey is RGBUYBCOBSWYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O4/c9-5(14)3-12-2-1-11-4-6(13(16)17)10-7(11)8(12)15/h1-2,4H,3H2,(H2,9,14).
What are the key properties of 2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide?
2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide has a molecular weight of 237.17 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7-yl)acetamide is sourced from PubChem (CID 155522597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).