2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one

C15H15N3OS — CID 103218855

IUPAC2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(Cc2csc3ccccc23)c(=O)c1
InChIInChI=1S/C15H15N3OS/c1-2-16-12-7-15(19)18(17-8-12)9-11-10-20-14-6-4-3-5-13(11)14/h3-8,10,16H,2,9H2,1H3
InChIKeyHCIYUWPSEDWXTF-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.94
Rot. Bonds4

About 2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one

2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one (PubChem CID 103218855) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one
PubChem CID103218855
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(Cc2csc3ccccc23)c(=O)c1
InChIInChI=1S/C15H15N3OS/c1-2-16-12-7-15(19)18(17-8-12)9-11-10-20-14-6-4-3-5-13(11)14/h3-8,10,16H,2,9H2,1H3
InChIKeyHCIYUWPSEDWXTF-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220168
4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103218894
2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103223592
2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220063
1-(1-benzothiophen-3-ylmethyl)pyridin-2-one
CID 116618456
5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103219189
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
2-[(2,5-dichlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220082
1-(1-benzothiophen-3-ylmethyl)-4-(chloromethyl)-3,5-dimethylpyrazole
CID 63738820
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one
CID 103218917
5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 133303580

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one?
The IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one (CID 103218855) is 2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one is CCNc1cnn(Cc2csc3ccccc23)c(=O)c1.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one?
The InChIKey is HCIYUWPSEDWXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-16-12-7-15(19)18(17-8-12)9-11-10-20-14-6-4-3-5-13(11)14/h3-8,10,16H,2,9H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one?
2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one has a molecular weight of 285.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one is sourced from PubChem (CID 103218855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).