2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine

C12H14BrN3S — CID 105139558

IUPAC2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2sccc2Br)c(C)nn1
InChIInChI=1S/C12H14BrN3S/c1-7-5-9(8(2)16-15-7)11(14)6-12-10(13)3-4-17-12/h3-5,11H,6,14H2,1-2H3
InChIKeyYDKKMZPBYZZRGW-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.16
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine

2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine (PubChem CID 105139558) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
PubChem CID105139558
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2sccc2Br)c(C)nn1
InChIInChI=1S/C12H14BrN3S/c1-7-5-9(8(2)16-15-7)11(14)6-12-10(13)3-4-17-12/h3-5,11H,6,14H2,1-2H3
InChIKeyYDKKMZPBYZZRGW-UHFFFAOYSA-N
XLogP3.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylethanamine
CID 105139467
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583
2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968208
2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115848840
1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
CID 115848987
2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115849148
2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine
CID 107974648
2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115849210
2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105110402
2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105136216
2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105139491
2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804618

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine (CID 105139558) is 2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine is Cc1cc(C(N)Cc2sccc2Br)c(C)nn1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The InChIKey is YDKKMZPBYZZRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-7-5-9(8(2)16-15-7)11(14)6-12-10(13)3-4-17-12/h3-5,11H,6,14H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine has a molecular weight of 312.24 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine is sourced from PubChem (CID 105139558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).