tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin

C10H16N2O2Sn — CID 141242401

IUPACtert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin
SMILESCOc1cnn(C)c(=O)c1[Sn]C(C)(C)C
InChIInChI=1S/C6H7N2O2.C4H9.Sn/c1-8-6(9)3-5(10-2)4-7-8;1-4(2)3;/h4H,1-2H3;1-3H3;
InChIKeyCYQJXNRENHHZFW-UHFFFAOYSA-N
MW314.96 g/mol
LogP0.34
Rot. Bonds2

About tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin

tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin (PubChem CID 141242401) has the molecular formula C10H16N2O2Sn and a molecular weight of 314.96 g/mol. Its IUPAC name is tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin.

Molecular Properties

Compound Nametert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin
PubChem CID141242401
Molecular FormulaC10H16N2O2Sn
Molecular Weight314.96 g/mol
Exact Mass316.02
IUPAC Nametert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin
SMILESCOc1cnn(C)c(=O)c1[Sn]C(C)(C)C
InChIInChI=1S/C6H7N2O2.C4H9.Sn/c1-8-6(9)3-5(10-2)4-7-8;1-4(2)3;/h4H,1-2H3;1-3H3;
InChIKeyCYQJXNRENHHZFW-UHFFFAOYSA-N
XLogP0.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.96
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin 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 tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin?
The IUPAC name of tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin (CID 141242401) is tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin.
What is the SMILES notation for tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin?
The canonical SMILES for tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin is COc1cnn(C)c(=O)c1[Sn]C(C)(C)C.
What is the InChIKey of tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin?
The InChIKey is CYQJXNRENHHZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2O2.C4H9.Sn/c1-8-6(9)3-5(10-2)4-7-8;1-4(2)3;/h4H,1-2H3;1-3H3;.
What are the key properties of tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin?
tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin has a molecular weight of 314.96 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)tin is sourced from PubChem (CID 141242401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).