4-(2-methylbutoxy)-1H-pyridazin-6-one

C9H14N2O2 — CID 73013184

IUPAC4-(2-methylbutoxy)-1H-pyridazin-6-one
SMILESCCC(C)COc1cn[nH]c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-3-7(2)6-13-8-4-9(12)11-10-5-8/h4-5,7H,3,6H2,1-2H3,(H,11,12)
InChIKeyMORORIXRCZOOCX-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.19
Rot. Bonds4

About 4-(2-methylbutoxy)-1H-pyridazin-6-one

4-(2-methylbutoxy)-1H-pyridazin-6-one (PubChem CID 73013184) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(2-methylbutoxy)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-methylbutoxy)-1H-pyridazin-6-one
PubChem CID73013184
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(2-methylbutoxy)-1H-pyridazin-6-one
SMILESCCC(C)COc1cn[nH]c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-3-7(2)6-13-8-4-9(12)11-10-5-8/h4-5,7H,3,6H2,1-2H3,(H,11,12)
InChIKeyMORORIXRCZOOCX-UHFFFAOYSA-N
XLogP1.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylbutoxy)-1H-pyridazin-6-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 4-(2-methylbutoxy)-1H-pyridazin-6-one?
The IUPAC name of 4-(2-methylbutoxy)-1H-pyridazin-6-one (CID 73013184) is 4-(2-methylbutoxy)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-methylbutoxy)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-methylbutoxy)-1H-pyridazin-6-one is CCC(C)COc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(2-methylbutoxy)-1H-pyridazin-6-one?
The InChIKey is MORORIXRCZOOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7(2)6-13-8-4-9(12)11-10-5-8/h4-5,7H,3,6H2,1-2H3,(H,11,12).
What are the key properties of 4-(2-methylbutoxy)-1H-pyridazin-6-one?
4-(2-methylbutoxy)-1H-pyridazin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutoxy)-1H-pyridazin-6-one is sourced from PubChem (CID 73013184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).