2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone

C17H19N3O3S — CID 7206071

IUPAC2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1ccccc1-c1ccc(SCC(=O)N2CCOCC2)nn1
InChIInChI=1S/C17H19N3O3S/c1-22-15-5-3-2-4-13(15)14-6-7-16(19-18-14)24-12-17(21)20-8-10-23-11-9-20/h2-7H,8-12H2,1H3
InChIKeyGXFAVYJFVNELSP-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.10
Rot. Bonds5

About 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone

2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 7206071) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID7206071
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1ccccc1-c1ccc(SCC(=O)N2CCOCC2)nn1
InChIInChI=1S/C17H19N3O3S/c1-22-15-5-3-2-4-13(15)14-6-7-16(19-18-14)24-12-17(21)20-8-10-23-11-9-20/h2-7H,8-12H2,1H3
InChIKeyGXFAVYJFVNELSP-UHFFFAOYSA-N
XLogP2.10
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 7205866
3-Benzylsulfanyl-6-(2-methoxyphenyl)pyridazine
CID 7206031
3-(2-Methoxyphenyl)-6-((4-methylbenzyl)thio)pyridazine
CID 7206042
Ethyl 4-(2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)acetyl)piperazine-1-carboxylate
CID 16194987
2-[[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]thio]-1-(4-morpholinyl)ethanone
CID 654821
N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7205845
N-cyclohexyl-2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]acetamide
CID 7205933
2-((6-(4-Ethoxyphenyl)pyridazin-3-yl)thio)-1-morpholinoethanone
CID 7205954
Ethyl 4-[2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 7206069
N-cyclohexyl-2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7206214
2-((6-(2-methoxyphenyl)pyridazin-3-yl)thio)-N-phenethylacetamide
CID 7502785
2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)-N-phenethylacetamide
CID 7502868

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone (CID 7206071) is 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone is COc1ccccc1-c1ccc(SCC(=O)N2CCOCC2)nn1.
What is the InChIKey of 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is GXFAVYJFVNELSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-22-15-5-3-2-4-13(15)14-6-7-16(19-18-14)24-12-17(21)20-8-10-23-11-9-20/h2-7H,8-12H2,1H3.
What are the key properties of 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 345.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 7206071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).