3,7-di(propan-2-yl)thieno[2,3-d]pyridazine

C12H16N2S — CID 58110622

IUPAC3,7-di(propan-2-yl)thieno[2,3-d]pyridazine
SMILESCC(C)c1csc2c(C(C)C)nncc12
InChIInChI=1S/C12H16N2S/c1-7(2)10-6-15-12-9(10)5-13-14-11(12)8(3)4/h5-8H,1-4H3
InChIKeyPZWCEUGDYOPXRH-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.94
Rot. Bonds2

About 3,7-di(propan-2-yl)thieno[2,3-d]pyridazine

3,7-di(propan-2-yl)thieno[2,3-d]pyridazine (PubChem CID 58110622) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3,7-di(propan-2-yl)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name3,7-di(propan-2-yl)thieno[2,3-d]pyridazine
PubChem CID58110622
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name3,7-di(propan-2-yl)thieno[2,3-d]pyridazine
SMILESCC(C)c1csc2c(C(C)C)nncc12
InChIInChI=1S/C12H16N2S/c1-7(2)10-6-15-12-9(10)5-13-14-11(12)8(3)4/h5-8H,1-4H3
InChIKeyPZWCEUGDYOPXRH-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-di(propan-2-yl)thieno[2,3-d]pyridazine?
The IUPAC name of 3,7-di(propan-2-yl)thieno[2,3-d]pyridazine (CID 58110622) is 3,7-di(propan-2-yl)thieno[2,3-d]pyridazine.
What is the SMILES notation for 3,7-di(propan-2-yl)thieno[2,3-d]pyridazine?
The canonical SMILES for 3,7-di(propan-2-yl)thieno[2,3-d]pyridazine is CC(C)c1csc2c(C(C)C)nncc12.
What is the InChIKey of 3,7-di(propan-2-yl)thieno[2,3-d]pyridazine?
The InChIKey is PZWCEUGDYOPXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-7(2)10-6-15-12-9(10)5-13-14-11(12)8(3)4/h5-8H,1-4H3.
What are the key properties of 3,7-di(propan-2-yl)thieno[2,3-d]pyridazine?
3,7-di(propan-2-yl)thieno[2,3-d]pyridazine has a molecular weight of 220.34 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(propan-2-yl)thieno[2,3-d]pyridazine is sourced from PubChem (CID 58110622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).