[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine

C10H11N3OS — CID 62321563

IUPAC[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine
SMILESNCc1ccc(OCc2cccs2)nn1
InChIInChI=1S/C10H11N3OS/c11-6-8-3-4-10(13-12-8)14-7-9-2-1-5-15-9/h1-5H,6-7,11H2
InChIKeyIMFJGQFOBPETAH-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.58
Rot. Bonds4

About [6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine

[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine (PubChem CID 62321563) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is [6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine
PubChem CID62321563
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine
SMILESNCc1ccc(OCc2cccs2)nn1
InChIInChI=1S/C10H11N3OS/c11-6-8-3-4-10(13-12-8)14-7-9-2-1-5-15-9/h1-5H,6-7,11H2
InChIKeyIMFJGQFOBPETAH-UHFFFAOYSA-N
XLogP1.58
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine?
The IUPAC name of [6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine (CID 62321563) is [6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine is NCc1ccc(OCc2cccs2)nn1.
What is the InChIKey of [6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine?
The InChIKey is IMFJGQFOBPETAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c11-6-8-3-4-10(13-12-8)14-7-9-2-1-5-15-9/h1-5H,6-7,11H2.
What are the key properties of [6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine?
[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine has a molecular weight of 221.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine is sourced from PubChem (CID 62321563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).