1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine

C12H15N3S — CID 105153970

IUPAC1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)c1cc(C)nnc1C
InChIInChI=1S/C12H15N3S/c1-8-6-11(9(2)15-14-8)12(13-3)10-4-5-16-7-10/h4-7,12-13H,1-3H3
InChIKeyFWIJSYQALZIZMB-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.46
Rot. Bonds3

About 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine

1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 105153970) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID105153970
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)c1cc(C)nnc1C
InChIInChI=1S/C12H15N3S/c1-8-6-11(9(2)15-14-8)12(13-3)10-4-5-16-7-10/h4-7,12-13H,1-3H3
InChIKeyFWIJSYQALZIZMB-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine
CID 105083769
N-methyl-1-(2-methyl-4-pyridinyl)-1-thiophen-3-ylmethanamine
CID 106755405
N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine
CID 105153904
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187892
1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine
CID 105143857
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol
CID 105089473
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62791195
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol
CID 105102712
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
CID 105154023
1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 43481131
1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 63990472

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine (CID 105153970) is 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine is CNC(c1ccsc1)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is FWIJSYQALZIZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-6-11(9(2)15-14-8)12(13-3)10-4-5-16-7-10/h4-7,12-13H,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine?
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.46, 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)-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 105153970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).