1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine

C11H13N3OS — CID 103373901

IUPAC1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine
SMILESCOc1ccc(C(N)Cc2ccsc2)nn1
InChIInChI=1S/C11H13N3OS/c1-15-11-3-2-10(13-14-11)9(12)6-8-4-5-16-7-8/h2-5,7,9H,6,12H2,1H3
InChIKeyPDEQXJHBWIKQRZ-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.79
Rot. Bonds4

About 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine

1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine (PubChem CID 103373901) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine
PubChem CID103373901
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine
SMILESCOc1ccc(C(N)Cc2ccsc2)nn1
InChIInChI=1S/C11H13N3OS/c1-15-11-3-2-10(13-14-11)9(12)6-8-4-5-16-7-8/h2-5,7,9H,6,12H2,1H3
InChIKeyPDEQXJHBWIKQRZ-UHFFFAOYSA-N
XLogP1.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxypyridazin-3-yl)-2-(4-methylphenyl)ethanamine
CID 103373893
(6-methoxypyridazin-3-yl)-thiophen-3-ylmethanamine
CID 103373837
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103373776
1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethanamine
CID 105178685
1-(6-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 63553811
2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 61079011
(1R)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 69002716
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 102951091
1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
CID 55095413
3-methoxy-1-thiophen-3-ylbutan-2-amine
CID 79616789
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583
1-(4-ethylthiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137431

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine (CID 103373901) is 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine is COc1ccc(C(N)Cc2ccsc2)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine?
The InChIKey is PDEQXJHBWIKQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-15-11-3-2-10(13-14-11)9(12)6-8-4-5-16-7-8/h2-5,7,9H,6,12H2,1H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine?
1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine has a molecular weight of 235.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 103373901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).