1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde

C9H12N2O2 — CID 82442319

IUPAC1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde
SMILESCC(C)Cn1nc(C=O)ccc1=O
InChIInChI=1S/C9H12N2O2/c1-7(2)5-11-9(13)4-3-8(6-12)10-11/h3-4,6-7H,5H2,1-2H3
InChIKeyGOSHBGUOOZGPLC-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.71
Rot. Bonds3

About 1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde

1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde (PubChem CID 82442319) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde
PubChem CID82442319
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde
SMILESCC(C)Cn1nc(C=O)ccc1=O
InChIInChI=1S/C9H12N2O2/c1-7(2)5-11-9(13)4-3-8(6-12)10-11/h3-4,6-7H,5H2,1-2H3
InChIKeyGOSHBGUOOZGPLC-UHFFFAOYSA-N
XLogP0.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442349
6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82105345
6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442346
6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82105416
2-[(2S)-2-aminopropyl]-6-methylpyridazin-3-one
CID 94898157
6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442351
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-6-oxopyridazine-3-carboxylic acid
CID 114696129
2-(3-bromo-2-methylpropyl)-6-methylpyridazin-3-one
CID 64995557
6-methyl-2-[2-(methylamino)propyl]pyridazin-3-one
CID 62923532
2-(2-methylpropyl)-6-(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82442359
2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126857417
6-amino-2-(2-methylpentyl)pyridazin-3-one
CID 116788206

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde?
The IUPAC name of 1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde (CID 82442319) is 1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde.
What is the SMILES notation for 1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde?
The canonical SMILES for 1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde is CC(C)Cn1nc(C=O)ccc1=O.
What is the InChIKey of 1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde?
The InChIKey is GOSHBGUOOZGPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(2)5-11-9(13)4-3-8(6-12)10-11/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde?
1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde has a molecular weight of 180.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde is sourced from PubChem (CID 82442319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).