5-acetylpyrazine-2-carbaldehyde;ethane

C9H12N2O2 — CID 142622200

IUPAC5-acetylpyrazine-2-carbaldehyde;ethane
SMILESCC.CC(=O)c1cnc(C=O)cn1
InChIInChI=1S/C7H6N2O2.C2H6/c1-5(11)7-3-8-6(4-10)2-9-7;1-2/h2-4H,1H3;1-2H3
InChIKeyLVIUYKMEUDOJAH-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.52
Rot. Bonds2

About 5-acetylpyrazine-2-carbaldehyde;ethane

5-acetylpyrazine-2-carbaldehyde;ethane (PubChem CID 142622200) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-acetylpyrazine-2-carbaldehyde;ethane.

Molecular Properties

Compound Name5-acetylpyrazine-2-carbaldehyde;ethane
PubChem CID142622200
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-acetylpyrazine-2-carbaldehyde;ethane
SMILESCC.CC(=O)c1cnc(C=O)cn1
InChIInChI=1S/C7H6N2O2.C2H6/c1-5(11)7-3-8-6(4-10)2-9-7;1-2/h2-4H,1H3;1-2H3
InChIKeyLVIUYKMEUDOJAH-UHFFFAOYSA-N
XLogP1.52
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.52
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 5-acetylpyrazine-2-carbaldehyde;ethane?
The IUPAC name of 5-acetylpyrazine-2-carbaldehyde;ethane (CID 142622200) is 5-acetylpyrazine-2-carbaldehyde;ethane.
What is the SMILES notation for 5-acetylpyrazine-2-carbaldehyde;ethane?
The canonical SMILES for 5-acetylpyrazine-2-carbaldehyde;ethane is CC.CC(=O)c1cnc(C=O)cn1.
What is the InChIKey of 5-acetylpyrazine-2-carbaldehyde;ethane?
The InChIKey is LVIUYKMEUDOJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2.C2H6/c1-5(11)7-3-8-6(4-10)2-9-7;1-2/h2-4H,1H3;1-2H3.
What are the key properties of 5-acetylpyrazine-2-carbaldehyde;ethane?
5-acetylpyrazine-2-carbaldehyde;ethane has a molecular weight of 180.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetylpyrazine-2-carbaldehyde;ethane is sourced from PubChem (CID 142622200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).