2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one

C10H11N3OS — CID 122239427

IUPAC2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one
SMILESNCCn1nc(-c2ccsc2)ccc1=O
InChIInChI=1S/C10H11N3OS/c11-4-5-13-10(14)2-1-9(12-13)8-3-6-15-7-8/h1-3,6-7H,4-5,11H2
InChIKeyNCECVKREVYCXRS-UHFFFAOYSA-N
MW221.29 g/mol
LogP0.93
Rot. Bonds3

About 2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one

2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one (PubChem CID 122239427) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one
PubChem CID122239427
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one
SMILESNCCn1nc(-c2ccsc2)ccc1=O
InChIInChI=1S/C10H11N3OS/c11-4-5-13-10(14)2-1-9(12-13)8-3-6-15-7-8/h1-3,6-7H,4-5,11H2
InChIKeyNCECVKREVYCXRS-UHFFFAOYSA-N
XLogP0.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine
CID 121211971
2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
CID 52903522
1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine
CID 121214181
2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 82036682
1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid
CID 121211165
2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid
CID 122239458
3-(6-thiophen-3-ylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine
CID 121214960
1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde
CID 121211266
1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine
CID 121211276
1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine
CID 121214182
2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 19008993
2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid
CID 121211968

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one (CID 122239427) is 2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one is NCCn1nc(-c2ccsc2)ccc1=O.
What is the InChIKey of 2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one?
The InChIKey is NCECVKREVYCXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c11-4-5-13-10(14)2-1-9(12-13)8-3-6-15-7-8/h1-3,6-7H,4-5,11H2.
What are the key properties of 2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one?
2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one has a molecular weight of 221.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one is sourced from PubChem (CID 122239427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).