7-tert-butyl-4-methylthieno[2,3-d]pyridazine

C11H14N2S — CID 59767010

IUPAC7-tert-butyl-4-methylthieno[2,3-d]pyridazine
SMILESCc1nnc(C(C)(C)C)c2sccc12
InChIInChI=1S/C11H14N2S/c1-7-8-5-6-14-9(8)10(13-12-7)11(2,3)4/h5-6H,1-4H3
InChIKeyZZEIYJPOBOVLPI-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.30
Rot. Bonds

About 7-tert-butyl-4-methylthieno[2,3-d]pyridazine

7-tert-butyl-4-methylthieno[2,3-d]pyridazine (PubChem CID 59767010) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 7-tert-butyl-4-methylthieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-tert-butyl-4-methylthieno[2,3-d]pyridazine
PubChem CID59767010
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name7-tert-butyl-4-methylthieno[2,3-d]pyridazine
SMILESCc1nnc(C(C)(C)C)c2sccc12
InChIInChI=1S/C11H14N2S/c1-7-8-5-6-14-9(8)10(13-12-7)11(2,3)4/h5-6H,1-4H3
InChIKeyZZEIYJPOBOVLPI-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-methylthieno[2,3-d]pyridazine?
The IUPAC name of 7-tert-butyl-4-methylthieno[2,3-d]pyridazine (CID 59767010) is 7-tert-butyl-4-methylthieno[2,3-d]pyridazine.
What is the SMILES notation for 7-tert-butyl-4-methylthieno[2,3-d]pyridazine?
The canonical SMILES for 7-tert-butyl-4-methylthieno[2,3-d]pyridazine is Cc1nnc(C(C)(C)C)c2sccc12.
What is the InChIKey of 7-tert-butyl-4-methylthieno[2,3-d]pyridazine?
The InChIKey is ZZEIYJPOBOVLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-7-8-5-6-14-9(8)10(13-12-7)11(2,3)4/h5-6H,1-4H3.
What are the key properties of 7-tert-butyl-4-methylthieno[2,3-d]pyridazine?
7-tert-butyl-4-methylthieno[2,3-d]pyridazine has a molecular weight of 206.31 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-methylthieno[2,3-d]pyridazine is sourced from PubChem (CID 59767010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).