tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane

C20H33N3Sn — CID 15362123

IUPACtributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnnc(-c2ccc[nH]2)c1
InChIInChI=1S/C8H6N3.3C4H9.Sn/c1-3-7(9-5-1)8-4-2-6-10-11-8;3*1-3-4-2;/h1,3-6,9H;3*1,3-4H2,2H3;
InChIKeyVLBZEFYFYCIBMV-UHFFFAOYSA-N
MW434.22 g/mol
LogP5.53
Rot. Bonds11

About tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane

tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane (PubChem CID 15362123) has the molecular formula C20H33N3Sn and a molecular weight of 434.22 g/mol. Its IUPAC name is tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane
PubChem CID15362123
Molecular FormulaC20H33N3Sn
Molecular Weight434.22 g/mol
Exact Mass435.17
IUPAC Nametributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnnc(-c2ccc[nH]2)c1
InChIInChI=1S/C8H6N3.3C4H9.Sn/c1-3-7(9-5-1)8-4-2-6-10-11-8;3*1-3-4-2;/h1,3-6,9H;3*1,3-4H2,2H3;
InChIKeyVLBZEFYFYCIBMV-UHFFFAOYSA-N
XLogP5.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.22
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pyrrolidin-2-yl)pyridine
CID 2771659
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
3-(Pyridine-2-yl)-5-trifluoromethylpyrazole
CID 611600
2-(1H-Pyrazol-3-Yl)Pyridine
CID 2797657
methyl(4-phenylbutyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110295
1-Phenyl-4-(1h-pyrrol-2-ylmethyl)piperazine
CID 12997400
3,5-Di(2-pyridyl)pyrazole
CID 613762
(5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 135476167
Pyridine, 3-(4-(isopropylamino)pyrazol-1-yl)-
CID 206683
5-fluoro-2-(1H-pyrazol-3-yl)pyridine
CID 67991692
1-(pyridin-2-ylmethyl)-1H-pyrazol-4-amine
CID 28373959
3-(pyridin-2-yl)-1H-pyrazol-4-amine
CID 59376304

Frequently Asked Questions

What is the IUPAC name of tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane?
The IUPAC name of tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane (CID 15362123) is tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane.
What is the SMILES notation for tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane?
The canonical SMILES for tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cnnc(-c2ccc[nH]2)c1.
What is the InChIKey of tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane?
The InChIKey is VLBZEFYFYCIBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N3.3C4H9.Sn/c1-3-7(9-5-1)8-4-2-6-10-11-8;3*1-3-4-2;/h1,3-6,9H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane?
tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane has a molecular weight of 434.22 g/mol, XLogP of 5.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane is sourced from PubChem (CID 15362123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).