1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine

C15H21N3S — CID 105147937

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCCc1nnc(C)cc1C(CCc1ccsc1)NC
InChIInChI=1S/C15H21N3S/c1-4-14-13(9-11(2)17-18-14)15(16-3)6-5-12-7-8-19-10-12/h7-10,15-16H,4-6H2,1-3H3
InChIKeyXEKWOOKWXUHLBB-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.30
Rot. Bonds6

About 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine

1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 105147937) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID105147937
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCCc1nnc(C)cc1C(CCc1ccsc1)NC
InChIInChI=1S/C15H21N3S/c1-4-14-13(9-11(2)17-18-14)15(16-3)6-5-12-7-8-19-10-12/h7-10,15-16H,4-6H2,1-3H3
InChIKeyXEKWOOKWXUHLBB-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147843
1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 107993221
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 105091949
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol
CID 105102712
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
CID 105154023
2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine
CID 105136569
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 105091390
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 114330528
N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147974
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(furan-2-yl)-N-methylethanamine
CID 105177474
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030235
1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 113398628

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine (CID 105147937) is 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine is CCc1nnc(C)cc1C(CCc1ccsc1)NC.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is XEKWOOKWXUHLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-14-13(9-11(2)17-18-14)15(16-3)6-5-12-7-8-19-10-12/h7-10,15-16H,4-6H2,1-3H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 105147937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).