1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine

C13H17N3OS — CID 103374100

IUPAC1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1ccc(OC)nn1
InChIInChI=1S/C13H17N3OS/c1-14-11(6-5-10-4-3-9-18-10)12-7-8-13(17-2)16-15-12/h3-4,7-9,11,14H,5-6H2,1-2H3
InChIKeyAQTAUIAMGHPVRI-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.44
Rot. Bonds6

About 1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine

1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 103374100) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID103374100
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1ccc(OC)nn1
InChIInChI=1S/C13H17N3OS/c1-14-11(6-5-10-4-3-9-18-10)12-7-8-13(17-2)16-15-12/h3-4,7-9,11,14H,5-6H2,1-2H3
InChIKeyAQTAUIAMGHPVRI-UHFFFAOYSA-N
XLogP2.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-methoxypyridazin-3-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 103375476
N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150256
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150397
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860856
N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 102951660
1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105168382
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178278
1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 102952185
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
N-methyl-1-(3-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 55236710
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 103374100) is 1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine is CNC(CCc1cccs1)c1ccc(OC)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is AQTAUIAMGHPVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-14-11(6-5-10-4-3-9-18-10)12-7-8-13(17-2)16-15-12/h3-4,7-9,11,14H,5-6H2,1-2H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 263.37 g/mol, XLogP of 2.44, 6 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)-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 103374100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).