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

C13H18N2S — CID 170522643

IUPAC7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine
SMILESCc1nnc(C(C)C)c2c(C(C)C)csc12
InChIInChI=1S/C13H18N2S/c1-7(2)10-6-16-13-9(5)14-15-12(8(3)4)11(10)13/h6-8H,1-5H3
InChIKeyMOHWHEYPFMZUNB-UHFFFAOYSA-N
MW234.37 g/mol
LogP4.25
Rot. Bonds2

About 7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine

7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine (PubChem CID 170522643) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine
PubChem CID170522643
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine
SMILESCc1nnc(C(C)C)c2c(C(C)C)csc12
InChIInChI=1S/C13H18N2S/c1-7(2)10-6-16-13-9(5)14-15-12(8(3)4)11(10)13/h6-8H,1-5H3
InChIKeyMOHWHEYPFMZUNB-UHFFFAOYSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-Ditert-butyl-3-fluorothieno[2,3-d]pyridazine
CID 176700940
7-Butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine
CID 176701364
1,4-Dimethylthieno[3,4-d]pyridazine
CID 22892588
4-Ethylthieno[3,4-d]pyridazine
CID 22892590
4-Methylthieno[3,4-d]pyridazine
CID 22892592
3-Ethylthieno[2,3-d]pyridazine
CID 22892614
3-(2-Methylpropyl)thieno[2,3-d]pyridazine
CID 22892615
3-Propan-2-ylthieno[2,3-d]pyridazine
CID 22892616
3-Methyl-7-(4-methylthiophen-3-yl)thieno[2,3-d]pyridazine
CID 22892618
3-Propylthieno[2,3-d]pyridazine
CID 22892620
4-Tert-butyl-2,3-dimethylthieno[2,3-d]pyridazine
CID 57929995
3,7-Di(propan-2-yl)thieno[2,3-d]pyridazine
CID 58110622

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine?
The IUPAC name of 7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine (CID 170522643) is 7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine.
What is the SMILES notation for 7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine?
The canonical SMILES for 7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine is Cc1nnc(C(C)C)c2c(C(C)C)csc12.
What is the InChIKey of 7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine?
The InChIKey is MOHWHEYPFMZUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-7(2)10-6-16-13-9(5)14-15-12(8(3)4)11(10)13/h6-8H,1-5H3.
What are the key properties of 7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine?
7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine has a molecular weight of 234.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine is sourced from PubChem (CID 170522643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).