3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal

C9H13N3O2 — CID 114396040

IUPAC3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal
SMILESCN(C)c1cnn(CCC=O)c(=O)c1
InChIInChI=1S/C9H13N3O2/c1-11(2)8-6-9(14)12(10-7-8)4-3-5-13/h5-7H,3-4H2,1-2H3
InChIKeyZFYFJJPZCSQATM-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.10
Rot. Bonds4

About 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal

3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal (PubChem CID 114396040) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal.

Molecular Properties

Compound Name3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal
PubChem CID114396040
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal
SMILESCN(C)c1cnn(CCC=O)c(=O)c1
InChIInChI=1S/C9H13N3O2/c1-11(2)8-6-9(14)12(10-7-8)4-3-5-13/h5-7H,3-4H2,1-2H3
InChIKeyZFYFJJPZCSQATM-UHFFFAOYSA-N
XLogP-0.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal?
The IUPAC name of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal (CID 114396040) is 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal.
What is the SMILES notation for 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal?
The canonical SMILES for 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal is CN(C)c1cnn(CCC=O)c(=O)c1.
What is the InChIKey of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal?
The InChIKey is ZFYFJJPZCSQATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11(2)8-6-9(14)12(10-7-8)4-3-5-13/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal?
3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal has a molecular weight of 195.22 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanal is sourced from PubChem (CID 114396040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).