3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+)

C16H28N2W — CID 145473938

IUPAC3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+)
SMILESCC.[CH2-]c1c(C(C)(C)C)nnc(C(C)(C)C)c1[CH2-].[W+2]
InChIInChI=1S/C14H22N2.C2H6.W/c1-9-10(2)12(14(6,7)8)16-15-11(9)13(3,4)5;1-2;/h1-2H2,3-8H3;1-2H3;/q-2;;+2
InChIKeyPDMNADUUFUCHHJ-UHFFFAOYSA-N
MW432.25 g/mol
LogP4.46
Rot. Bonds

About 3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+)

3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+) (PubChem CID 145473938) has the molecular formula C16H28N2W and a molecular weight of 432.25 g/mol. Its IUPAC name is 3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+).

Molecular Properties

Compound Name3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+)
PubChem CID145473938
Molecular FormulaC16H28N2W
Molecular Weight432.25 g/mol
Exact Mass432.18
IUPAC Name3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+)
SMILESCC.[CH2-]c1c(C(C)(C)C)nnc(C(C)(C)C)c1[CH2-].[W+2]
InChIInChI=1S/C14H22N2.C2H6.W/c1-9-10(2)12(14(6,7)8)16-15-11(9)13(3,4)5;1-2;/h1-2H2,3-8H3;1-2H3;/q-2;;+2
InChIKeyPDMNADUUFUCHHJ-UHFFFAOYSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.25
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+)?
The IUPAC name of 3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+) (CID 145473938) is 3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+).
What is the SMILES notation for 3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+)?
The canonical SMILES for 3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+) is CC.[CH2-]c1c(C(C)(C)C)nnc(C(C)(C)C)c1[CH2-].[W+2].
What is the InChIKey of 3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+)?
The InChIKey is PDMNADUUFUCHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C2H6.W/c1-9-10(2)12(14(6,7)8)16-15-11(9)13(3,4)5;1-2;/h1-2H2,3-8H3;1-2H3;/q-2;;+2.
What are the key properties of 3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+)?
3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+) has a molecular weight of 432.25 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+) is sourced from PubChem (CID 145473938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).