7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one

C16H16N2O2S — CID 121449942

IUPAC7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one
SMILESCOc1ccccc1CCc1n[nH]c(=O)c2c(C)csc12
InChIInChI=1S/C16H16N2O2S/c1-10-9-21-15-12(17-18-16(19)14(10)15)8-7-11-5-3-4-6-13(11)20-2/h3-6,9H,7-8H2,1-2H3,(H,18,19)
InChIKeyADWKXQRRRXNVBV-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.09
Rot. Bonds4

About 7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one

7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one (PubChem CID 121449942) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one
PubChem CID121449942
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one
SMILESCOc1ccccc1CCc1n[nH]c(=O)c2c(C)csc12
InChIInChI=1S/C16H16N2O2S/c1-10-9-21-15-12(17-18-16(19)14(10)15)8-7-11-5-3-4-6-13(11)20-2/h3-6,9H,7-8H2,1-2H3,(H,18,19)
InChIKeyADWKXQRRRXNVBV-UHFFFAOYSA-N
XLogP3.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one?
The IUPAC name of 7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one (CID 121449942) is 7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one is COc1ccccc1CCc1n[nH]c(=O)c2c(C)csc12.
What is the InChIKey of 7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one?
The InChIKey is ADWKXQRRRXNVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-9-21-15-12(17-18-16(19)14(10)15)8-7-11-5-3-4-6-13(11)20-2/h3-6,9H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one?
7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one has a molecular weight of 300.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 121449942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).