N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine

C15H17N3OS — CID 63647201

IUPACN-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCSc1ccccc1Oc1ccc(CNC2CC2)nn1
InChIInChI=1S/C15H17N3OS/c1-20-14-5-3-2-4-13(14)19-15-9-8-12(17-18-15)10-16-11-6-7-11/h2-5,8-9,11,16H,6-7,10H2,1H3
InChIKeyPXIYHXFOAGWYKL-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.24
Rot. Bonds6

About N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine

N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine (PubChem CID 63647201) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
PubChem CID63647201
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCSc1ccccc1Oc1ccc(CNC2CC2)nn1
InChIInChI=1S/C15H17N3OS/c1-20-14-5-3-2-4-13(14)19-15-9-8-12(17-18-15)10-16-11-6-7-11/h2-5,8-9,11,16H,6-7,10H2,1H3
InChIKeyPXIYHXFOAGWYKL-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4-methoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62323240
N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297853
N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297563
N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391467
N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62336369
N-[[1,3-dimethyl-5-(2-methylsulfanylphenoxy)pyrazol-4-yl]methyl]cyclopropanamine
CID 63648027
N-[[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 107725866
N-[[6-(4-chloro-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62322068
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 66276175
N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]cyclopropanamine
CID 62290303
N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
CID 63649255
6-[(cyclopropylamino)methyl]-N-(2-methoxyphenyl)-N-methylpyridazin-3-amine
CID 62282714

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine (CID 63647201) is N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine is CSc1ccccc1Oc1ccc(CNC2CC2)nn1.
What is the InChIKey of N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The InChIKey is PXIYHXFOAGWYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-20-14-5-3-2-4-13(14)19-15-9-8-12(17-18-15)10-16-11-6-7-11/h2-5,8-9,11,16H,6-7,10H2,1H3.
What are the key properties of N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine has a molecular weight of 287.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63647201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).