1,4-di(propan-2-yl)thieno[3,4-d]pyridazine

C12H16N2S — CID 177071250

IUPAC1,4-di(propan-2-yl)thieno[3,4-d]pyridazine
SMILESCC(C)c1nnc(C(C)C)c2cscc12
InChIInChI=1S/C12H16N2S/c1-7(2)11-9-5-15-6-10(9)12(8(3)4)14-13-11/h5-8H,1-4H3
InChIKeyGAJVSBIGDOYKMS-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.94
Rot. Bonds2

About 1,4-di(propan-2-yl)thieno[3,4-d]pyridazine

1,4-di(propan-2-yl)thieno[3,4-d]pyridazine (PubChem CID 177071250) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)thieno[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)thieno[3,4-d]pyridazine
PubChem CID177071250
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1,4-di(propan-2-yl)thieno[3,4-d]pyridazine
SMILESCC(C)c1nnc(C(C)C)c2cscc12
InChIInChI=1S/C12H16N2S/c1-7(2)11-9-5-15-6-10(9)12(8(3)4)14-13-11/h5-8H,1-4H3
InChIKeyGAJVSBIGDOYKMS-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 1,4-di(propan-2-yl)thieno[3,4-d]pyridazine?
The IUPAC name of 1,4-di(propan-2-yl)thieno[3,4-d]pyridazine (CID 177071250) is 1,4-di(propan-2-yl)thieno[3,4-d]pyridazine.
What is the SMILES notation for 1,4-di(propan-2-yl)thieno[3,4-d]pyridazine?
The canonical SMILES for 1,4-di(propan-2-yl)thieno[3,4-d]pyridazine is CC(C)c1nnc(C(C)C)c2cscc12.
What is the InChIKey of 1,4-di(propan-2-yl)thieno[3,4-d]pyridazine?
The InChIKey is GAJVSBIGDOYKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-7(2)11-9-5-15-6-10(9)12(8(3)4)14-13-11/h5-8H,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)thieno[3,4-d]pyridazine?
1,4-di(propan-2-yl)thieno[3,4-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 1,4-di(propan-2-yl)thieno[3,4-d]pyridazine is sourced from PubChem (CID 177071250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).