3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal

C10H15N3O2 — CID 114396176

IUPAC3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal
SMILESCCN(C)c1cnn(CCC=O)c(=O)c1
InChIInChI=1S/C10H15N3O2/c1-3-12(2)9-7-10(15)13(11-8-9)5-4-6-14/h6-8H,3-5H2,1-2H3
InChIKeyDFUWFMLVPQDPJQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.29
Rot. Bonds5

About 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal

3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal (PubChem CID 114396176) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal.

Molecular Properties

Compound Name3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal
PubChem CID114396176
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal
SMILESCCN(C)c1cnn(CCC=O)c(=O)c1
InChIInChI=1S/C10H15N3O2/c1-3-12(2)9-7-10(15)13(11-8-9)5-4-6-14/h6-8H,3-5H2,1-2H3
InChIKeyDFUWFMLVPQDPJQ-UHFFFAOYSA-N
XLogP0.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-[ethyl(methyl)amino]-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-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal?
The IUPAC name of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal (CID 114396176) is 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal.
What is the SMILES notation for 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal?
The canonical SMILES for 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal is CCN(C)c1cnn(CCC=O)c(=O)c1.
What is the InChIKey of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal?
The InChIKey is DFUWFMLVPQDPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-12(2)9-7-10(15)13(11-8-9)5-4-6-14/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal?
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal has a molecular weight of 209.25 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal is sourced from PubChem (CID 114396176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).