5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one

C10H11N3OS — CID 82446483

IUPAC5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
SMILESCNCc1cc(-c2cccs2)n[nH]c1=O
InChIInChI=1S/C10H11N3OS/c1-11-6-7-5-8(12-13-10(7)14)9-3-2-4-15-9/h2-5,11H,6H2,1H3,(H,13,14)
InChIKeyWWYNWQNXDNQHGI-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.22
Rot. Bonds3

About 5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one

5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one (PubChem CID 82446483) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
PubChem CID82446483
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
SMILESCNCc1cc(-c2cccs2)n[nH]c1=O
InChIInChI=1S/C10H11N3OS/c1-11-6-7-5-8(12-13-10(7)14)9-3-2-4-15-9/h2-5,11H,6H2,1H3,(H,13,14)
InChIKeyWWYNWQNXDNQHGI-UHFFFAOYSA-N
XLogP1.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one (CID 82446483) is 5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one is CNCc1cc(-c2cccs2)n[nH]c1=O.
What is the InChIKey of 5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one?
The InChIKey is WWYNWQNXDNQHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-11-6-7-5-8(12-13-10(7)14)9-3-2-4-15-9/h2-5,11H,6H2,1H3,(H,13,14).
What are the key properties of 5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one?
5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one has a molecular weight of 221.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 82446483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).