2,4,6-triethyl-4,5-dihydropyridazin-3-one

C10H18N2O — CID 58694572

IUPAC2,4,6-triethyl-4,5-dihydropyridazin-3-one
SMILESCCC1=NN(CC)C(=O)C(CC)C1
InChIInChI=1S/C10H18N2O/c1-4-8-7-9(5-2)11-12(6-3)10(8)13/h8H,4-7H2,1-3H3
InChIKeyPQGWAVDNHCVOOZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.03
Rot. Bonds3

About 2,4,6-triethyl-4,5-dihydropyridazin-3-one

2,4,6-triethyl-4,5-dihydropyridazin-3-one (PubChem CID 58694572) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2,4,6-triethyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2,4,6-triethyl-4,5-dihydropyridazin-3-one
PubChem CID58694572
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2,4,6-triethyl-4,5-dihydropyridazin-3-one
SMILESCCC1=NN(CC)C(=O)C(CC)C1
InChIInChI=1S/C10H18N2O/c1-4-8-7-9(5-2)11-12(6-3)10(8)13/h8H,4-7H2,1-3H3
InChIKeyPQGWAVDNHCVOOZ-UHFFFAOYSA-N
XLogP2.03
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4,6-triethyl-4,5-dihydropyridazin-3-one 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 2,4,6-triethyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2,4,6-triethyl-4,5-dihydropyridazin-3-one (CID 58694572) is 2,4,6-triethyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2,4,6-triethyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2,4,6-triethyl-4,5-dihydropyridazin-3-one is CCC1=NN(CC)C(=O)C(CC)C1.
What is the InChIKey of 2,4,6-triethyl-4,5-dihydropyridazin-3-one?
The InChIKey is PQGWAVDNHCVOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-8-7-9(5-2)11-12(6-3)10(8)13/h8H,4-7H2,1-3H3.
What are the key properties of 2,4,6-triethyl-4,5-dihydropyridazin-3-one?
2,4,6-triethyl-4,5-dihydropyridazin-3-one has a molecular weight of 182.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 58694572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).