1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine

C12H15N3S — CID 105137583

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
SMILESCc1cc(C(N)Cc2ccsc2)c(C)nn1
InChIInChI=1S/C12H15N3S/c1-8-5-11(9(2)15-14-8)12(13)6-10-3-4-16-7-10/h3-5,7,12H,6,13H2,1-2H3
InChIKeyFUYUODMGZMVSCV-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.40
Rot. Bonds3

About 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine

1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine (PubChem CID 105137583) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
PubChem CID105137583
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
SMILESCc1cc(C(N)Cc2ccsc2)c(C)nn1
InChIInChI=1S/C12H15N3S/c1-8-5-11(9(2)15-14-8)12(13)6-10-3-4-16-7-10/h3-5,7,12H,6,13H2,1-2H3
InChIKeyFUYUODMGZMVSCV-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol
CID 105089473
2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105136216
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105139558
1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 82883386
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 65307292
2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 107891668
1-(6-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 63553811
1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 61079569
1-(2,5-dibromothiophen-3-yl)-2-thiophen-3-ylethanamine
CID 107962803
2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105132737
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107599
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 105153970

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine (CID 105137583) is 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine is Cc1cc(C(N)Cc2ccsc2)c(C)nn1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine?
The InChIKey is FUYUODMGZMVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-5-11(9(2)15-14-8)12(13)6-10-3-4-16-7-10/h3-5,7,12H,6,13H2,1-2H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine?
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 105137583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).