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'}

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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).