2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one

C14H25N3O2 — CID 106460207

IUPAC2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(CCOCC(C)C)c(=O)c1
InChIInChI=1S/C14H25N3O2/c1-11(2)8-15-13-7-14(18)17(16-9-13)5-6-19-10-12(3)4/h7,9,11-12,15H,5-6,8,10H2,1-4H3
InChIKeyZUJVNZSLKSCAMV-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.98
Rot. Bonds8

About 2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one

2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one (PubChem CID 106460207) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one
PubChem CID106460207
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(CCOCC(C)C)c(=O)c1
InChIInChI=1S/C14H25N3O2/c1-11(2)8-15-13-7-14(18)17(16-9-13)5-6-19-10-12(3)4/h7,9,11-12,15H,5-6,8,10H2,1-4H3
InChIKeyZUJVNZSLKSCAMV-UHFFFAOYSA-N
XLogP1.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-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

Related Compounds

2-(3-ethylsulfanylpropyl)-5-(2-methylpropylamino)pyridazin-3-one
CID 103221727
5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one
CID 103221479
N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221610
5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106460215
5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
CID 103221517
4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106455791
2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 103221567
5-(methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 107313022
5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 103223530
2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one
CID 103220724
2-[2-(dimethylamino)ethyl]-5-(ethylamino)pyridazin-3-one
CID 103219051

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one (CID 106460207) is 2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one is CC(C)CNc1cnn(CCOCC(C)C)c(=O)c1.
What is the InChIKey of 2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one?
The InChIKey is ZUJVNZSLKSCAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)8-15-13-7-14(18)17(16-9-13)5-6-19-10-12(3)4/h7,9,11-12,15H,5-6,8,10H2,1-4H3.
What are the key properties of 2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one?
2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one has a molecular weight of 267.37 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one is sourced from PubChem (CID 106460207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).