3-(4-hydroxy-6-oxopyridazin-1-yl)propanal

C7H8N2O3 — CID 57321634

IUPAC3-(4-hydroxy-6-oxopyridazin-1-yl)propanal
SMILESO=CCCn1ncc(O)cc1=O
InChIInChI=1S/C7H8N2O3/c10-3-1-2-9-7(12)4-6(11)5-8-9/h3-5,11H,1-2H2
InChIKeyMRTCUTAVGKXXIA-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.46
Rot. Bonds3

About 3-(4-hydroxy-6-oxopyridazin-1-yl)propanal

3-(4-hydroxy-6-oxopyridazin-1-yl)propanal (PubChem CID 57321634) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-(4-hydroxy-6-oxopyridazin-1-yl)propanal.

Molecular Properties

Compound Name3-(4-hydroxy-6-oxopyridazin-1-yl)propanal
PubChem CID57321634
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-(4-hydroxy-6-oxopyridazin-1-yl)propanal
SMILESO=CCCn1ncc(O)cc1=O
InChIInChI=1S/C7H8N2O3/c10-3-1-2-9-7(12)4-6(11)5-8-9/h3-5,11H,1-2H2
InChIKeyMRTCUTAVGKXXIA-UHFFFAOYSA-N
XLogP-0.46
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-hydroxy-6-oxopyridazin-1-yl)propanal?
The IUPAC name of 3-(4-hydroxy-6-oxopyridazin-1-yl)propanal (CID 57321634) is 3-(4-hydroxy-6-oxopyridazin-1-yl)propanal.
What is the SMILES notation for 3-(4-hydroxy-6-oxopyridazin-1-yl)propanal?
The canonical SMILES for 3-(4-hydroxy-6-oxopyridazin-1-yl)propanal is O=CCCn1ncc(O)cc1=O.
What is the InChIKey of 3-(4-hydroxy-6-oxopyridazin-1-yl)propanal?
The InChIKey is MRTCUTAVGKXXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-3-1-2-9-7(12)4-6(11)5-8-9/h3-5,11H,1-2H2.
What are the key properties of 3-(4-hydroxy-6-oxopyridazin-1-yl)propanal?
3-(4-hydroxy-6-oxopyridazin-1-yl)propanal has a molecular weight of 168.15 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-6-oxopyridazin-1-yl)propanal is sourced from PubChem (CID 57321634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).