3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane

C24H42N4O4Sn — CID 161255414

IUPAC3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(OC)nnc1OC.COc1ccc(OC)nn1
InChIInChI=1S/C6H8N2O2.C6H7N2O2.3C4H9.Sn/c2*1-9-5-3-4-6(10-2)8-7-5;3*1-3-4-2;/h3-4H,1-2H3;3H,1-2H3;3*1,3-4H2,2H3;
InChIKeyVBVOVJAAMIAUAZ-UHFFFAOYSA-N
MW569.34 g/mol
LogP5.04
Rot. Bonds14

About 3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane

3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane (PubChem CID 161255414) has the molecular formula C24H42N4O4Sn and a molecular weight of 569.34 g/mol. Its IUPAC name is 3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane.

Molecular Properties

Compound Name3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane
PubChem CID161255414
Molecular FormulaC24H42N4O4Sn
Molecular Weight569.34 g/mol
Exact Mass570.22
IUPAC Name3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(OC)nnc1OC.COc1ccc(OC)nn1
InChIInChI=1S/C6H8N2O2.C6H7N2O2.3C4H9.Sn/c2*1-9-5-3-4-6(10-2)8-7-5;3*1-3-4-2;/h3-4H,1-2H3;3H,1-2H3;3*1,3-4H2,2H3;
InChIKeyVBVOVJAAMIAUAZ-UHFFFAOYSA-N
XLogP5.04
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.34
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane?
The IUPAC name of 3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane (CID 161255414) is 3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane.
What is the SMILES notation for 3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane?
The canonical SMILES for 3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cc(OC)nnc1OC.COc1ccc(OC)nn1.
What is the InChIKey of 3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane?
The InChIKey is VBVOVJAAMIAUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.C6H7N2O2.3C4H9.Sn/c2*1-9-5-3-4-6(10-2)8-7-5;3*1-3-4-2;/h3-4H,1-2H3;3H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of 3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane?
3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane has a molecular weight of 569.34 g/mol, XLogP of 5.04, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane is sourced from PubChem (CID 161255414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).