2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde

C12H11N3O2 — CID 82391089

IUPAC2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde
SMILESCN1Cc2nc3cc(C=O)ccc3n2CC1=O
InChIInChI=1S/C12H11N3O2/c1-14-5-11-13-9-4-8(7-16)2-3-10(9)15(11)6-12(14)17/h2-4,7H,5-6H2,1H3
InChIKeyIPQNOHILFBQCDL-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.82
Rot. Bonds1

About 2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde

2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde (PubChem CID 82391089) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde
PubChem CID82391089
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde
SMILESCN1Cc2nc3cc(C=O)ccc3n2CC1=O
InChIInChI=1S/C12H11N3O2/c1-14-5-11-13-9-4-8(7-16)2-3-10(9)15(11)6-12(14)17/h2-4,7H,5-6H2,1H3
InChIKeyIPQNOHILFBQCDL-UHFFFAOYSA-N
XLogP0.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde?
The IUPAC name of 2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde (CID 82391089) is 2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde.
What is the SMILES notation for 2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde?
The canonical SMILES for 2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde is CN1Cc2nc3cc(C=O)ccc3n2CC1=O.
What is the InChIKey of 2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde?
The InChIKey is IPQNOHILFBQCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-14-5-11-13-9-4-8(7-16)2-3-10(9)15(11)6-12(14)17/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde?
2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde has a molecular weight of 229.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazole-8-carbaldehyde is sourced from PubChem (CID 82391089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).