4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine

C10H11ClN2S — CID 21026539

IUPAC4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine
SMILESCC(C)Cc1cc2c(Cl)nncc2s1
InChIInChI=1S/C10H11ClN2S/c1-6(2)3-7-4-8-9(14-7)5-12-13-10(8)11/h4-6H,3H2,1-2H3
InChIKeyWWKHOGNPGLLAGR-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.54
Rot. Bonds2

About 4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine

4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine (PubChem CID 21026539) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine
PubChem CID21026539
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine
SMILESCC(C)Cc1cc2c(Cl)nncc2s1
InChIInChI=1S/C10H11ClN2S/c1-6(2)3-7-4-8-9(14-7)5-12-13-10(8)11/h4-6H,3H2,1-2H3
InChIKeyWWKHOGNPGLLAGR-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine?
The IUPAC name of 4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine (CID 21026539) is 4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine.
What is the SMILES notation for 4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine?
The canonical SMILES for 4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine is CC(C)Cc1cc2c(Cl)nncc2s1.
What is the InChIKey of 4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine?
The InChIKey is WWKHOGNPGLLAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-6(2)3-7-4-8-9(14-7)5-12-13-10(8)11/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine?
4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine has a molecular weight of 226.73 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropyl)thieno[2,3-d]pyridazine is sourced from PubChem (CID 21026539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).