3-(6-oxopyridazin-1-yl)propanal

C7H8N2O2 — CID 63039081

IUPAC3-(6-oxopyridazin-1-yl)propanal
SMILESO=CCCn1ncccc1=O
InChIInChI=1S/C7H8N2O2/c10-6-2-5-9-7(11)3-1-4-8-9/h1,3-4,6H,2,5H2
InChIKeyPDWVRVCTDBISPH-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.17
Rot. Bonds3

About 3-(6-oxopyridazin-1-yl)propanal

3-(6-oxopyridazin-1-yl)propanal (PubChem CID 63039081) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-(6-oxopyridazin-1-yl)propanal.

Molecular Properties

Compound Name3-(6-oxopyridazin-1-yl)propanal
PubChem CID63039081
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3-(6-oxopyridazin-1-yl)propanal
SMILESO=CCCn1ncccc1=O
InChIInChI=1S/C7H8N2O2/c10-6-2-5-9-7(11)3-1-4-8-9/h1,3-4,6H,2,5H2
InChIKeyPDWVRVCTDBISPH-UHFFFAOYSA-N
XLogP-0.17
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.17
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 3-(6-oxopyridazin-1-yl)propanal?
The IUPAC name of 3-(6-oxopyridazin-1-yl)propanal (CID 63039081) is 3-(6-oxopyridazin-1-yl)propanal.
What is the SMILES notation for 3-(6-oxopyridazin-1-yl)propanal?
The canonical SMILES for 3-(6-oxopyridazin-1-yl)propanal is O=CCCn1ncccc1=O.
What is the InChIKey of 3-(6-oxopyridazin-1-yl)propanal?
The InChIKey is PDWVRVCTDBISPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-6-2-5-9-7(11)3-1-4-8-9/h1,3-4,6H,2,5H2.
What are the key properties of 3-(6-oxopyridazin-1-yl)propanal?
3-(6-oxopyridazin-1-yl)propanal has a molecular weight of 152.15 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxopyridazin-1-yl)propanal is sourced from PubChem (CID 63039081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).