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

C12H16N2S — CID 58110791

IUPAC4,7-di(propan-2-yl)thieno[3,2-c]pyridazine
SMILESCC(C)c1csc2c(C(C)C)cnnc12
InChIInChI=1S/C12H16N2S/c1-7(2)9-5-13-14-11-10(8(3)4)6-15-12(9)11/h5-8H,1-4H3
InChIKeyBOGJTZQJKRPFFD-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.94
Rot. Bonds2

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

4,7-di(propan-2-yl)thieno[3,2-c]pyridazine (PubChem CID 58110791) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4,7-di(propan-2-yl)thieno[3,2-c]pyridazine.

Molecular Properties

Compound Name4,7-di(propan-2-yl)thieno[3,2-c]pyridazine
PubChem CID58110791
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name4,7-di(propan-2-yl)thieno[3,2-c]pyridazine
SMILESCC(C)c1csc2c(C(C)C)cnnc12
InChIInChI=1S/C12H16N2S/c1-7(2)9-5-13-14-11-10(8(3)4)6-15-12(9)11/h5-8H,1-4H3
InChIKeyBOGJTZQJKRPFFD-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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Related Compounds

5,7-Dimethylthieno[3,4-d]pyridazine
CID 22892613
Thieno[3,4-c]pyridazine
CID 90245540
7-(2-Fluoro-6-methylphenyl)thieno[2,3-d]pyridazine
CID 91547521
7-(4-Fluoro-3-methylphenyl)thieno[2,3-d]pyridazine
CID 175837676
7-(3-Tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine
CID 175907123
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
7-Thiophen-3-ylthieno[2,3-d]pyridazine
CID 10775202
7-Phenylthieno[2,3-d]pyridazine
CID 12898431
4-(Thiophen-2-yl)thieno[2,3-d]pyridazine
CID 13225497
4-(2,5-Dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine
CID 22892578
7-Thiophen-2-ylthieno[2,3-d]pyridazine
CID 22892581

Frequently Asked Questions

What is the IUPAC name of 4,7-di(propan-2-yl)thieno[3,2-c]pyridazine?
The IUPAC name of 4,7-di(propan-2-yl)thieno[3,2-c]pyridazine (CID 58110791) is 4,7-di(propan-2-yl)thieno[3,2-c]pyridazine.
What is the SMILES notation for 4,7-di(propan-2-yl)thieno[3,2-c]pyridazine?
The canonical SMILES for 4,7-di(propan-2-yl)thieno[3,2-c]pyridazine is CC(C)c1csc2c(C(C)C)cnnc12.
What is the InChIKey of 4,7-di(propan-2-yl)thieno[3,2-c]pyridazine?
The InChIKey is BOGJTZQJKRPFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-7(2)9-5-13-14-11-10(8(3)4)6-15-12(9)11/h5-8H,1-4H3.
What are the key properties of 4,7-di(propan-2-yl)thieno[3,2-c]pyridazine?
4,7-di(propan-2-yl)thieno[3,2-c]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 4,7-di(propan-2-yl)thieno[3,2-c]pyridazine is sourced from PubChem (CID 58110791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).