3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine

C14H18N2S — CID 158334496

IUPAC3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine
SMILESCc1ccc(CCc2csc(C(C)C)c2)nn1
InChIInChI=1S/C14H18N2S/c1-10(2)14-8-12(9-17-14)5-7-13-6-4-11(3)15-16-13/h4,6,8-10H,5,7H2,1-3H3
InChIKeyBDGANOCXBSNTDO-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.76
Rot. Bonds4

About 3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine

3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine (PubChem CID 158334496) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine
PubChem CID158334496
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine
SMILESCc1ccc(CCc2csc(C(C)C)c2)nn1
InChIInChI=1S/C14H18N2S/c1-10(2)14-8-12(9-17-14)5-7-13-6-4-11(3)15-16-13/h4,6,8-10H,5,7H2,1-3H3
InChIKeyBDGANOCXBSNTDO-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine?
The IUPAC name of 3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine (CID 158334496) is 3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine.
What is the SMILES notation for 3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine?
The canonical SMILES for 3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine is Cc1ccc(CCc2csc(C(C)C)c2)nn1.
What is the InChIKey of 3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine?
The InChIKey is BDGANOCXBSNTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10(2)14-8-12(9-17-14)5-7-13-6-4-11(3)15-16-13/h4,6,8-10H,5,7H2,1-3H3.
What are the key properties of 3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine?
3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine has a molecular weight of 246.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine is sourced from PubChem (CID 158334496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).