7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine

C15H21FN2S — CID 176701364

IUPAC7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine
SMILESCCC(C)c1nnc(C(C)(C)CC)c2c(F)csc12
InChIInChI=1S/C15H21FN2S/c1-6-9(3)12-13-11(10(16)8-19-13)14(18-17-12)15(4,5)7-2/h8-9H,6-7H2,1-5H3
InChIKeyCMCKTTSELPBIDY-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.03
Rot. Bonds4

About 7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine

7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine (PubChem CID 176701364) has the molecular formula C15H21FN2S and a molecular weight of 280.41 g/mol. Its IUPAC name is 7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine
PubChem CID176701364
Molecular FormulaC15H21FN2S
Molecular Weight280.41 g/mol
Exact Mass280.14
IUPAC Name7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine
SMILESCCC(C)c1nnc(C(C)(C)CC)c2c(F)csc12
InChIInChI=1S/C15H21FN2S/c1-6-9(3)12-13-11(10(16)8-19-13)14(18-17-12)15(4,5)7-2/h8-9H,6-7H2,1-5H3
InChIKeyCMCKTTSELPBIDY-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.03
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
1,4-Dimethylthieno[3,4-d]pyridazine
CID 22892588
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
4,7-Di(propan-2-yl)thieno[3,2-c]pyridazine
CID 58110791
7-Tert-butyl-4-methylthieno[2,3-d]pyridazine
CID 59767010
4,7-Dimethylthieno[2,3-d]pyridazine
CID 70562309
3-Methyl-7-propan-2-ylthieno[2,3-d]pyridazine
CID 88983487
7-Ethyl-4-methylthieno[2,3-d]pyridazine
CID 89250457
1,4,5,7-Tetramethylthieno[3,4-d]pyridazine
CID 117733430
4-Methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine
CID 129143496
4-Methyl-7-propan-2-ylthieno[2,3-d]pyridazine
CID 148200162

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine?
The IUPAC name of 7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine (CID 176701364) is 7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine.
What is the SMILES notation for 7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine?
The canonical SMILES for 7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine is CCC(C)c1nnc(C(C)(C)CC)c2c(F)csc12.
What is the InChIKey of 7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine?
The InChIKey is CMCKTTSELPBIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2S/c1-6-9(3)12-13-11(10(16)8-19-13)14(18-17-12)15(4,5)7-2/h8-9H,6-7H2,1-5H3.
What are the key properties of 7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine?
7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine has a molecular weight of 280.41 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine is sourced from PubChem (CID 176701364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).