1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine

C12H15N3S — CID 106895134

IUPAC1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCc1ccsc1C(C)NCc1cccnn1
InChIInChI=1S/C12H15N3S/c1-9-5-7-16-12(9)10(2)13-8-11-4-3-6-14-15-11/h3-7,10,13H,8H2,1-2H3
InChIKeyUFQQWCPWUCEYBF-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.70
Rot. Bonds4

About 1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine

1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 106895134) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID106895134
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCc1ccsc1C(C)NCc1cccnn1
InChIInChI=1S/C12H15N3S/c1-9-5-7-16-12(9)10(2)13-8-11-4-3-6-14-15-11/h3-7,10,13H,8H2,1-2H3
InChIKeyUFQQWCPWUCEYBF-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992103
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895435
1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895273
N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 114955136
4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol
CID 106895349
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63991028
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895025
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 106369709
1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 107094366

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine (CID 106895134) is 1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine is Cc1ccsc1C(C)NCc1cccnn1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is UFQQWCPWUCEYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-5-7-16-12(9)10(2)13-8-11-4-3-6-14-15-11/h3-7,10,13H,8H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106895134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).