N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine

C11H18N4S — CID 62280602

IUPACN-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine
SMILESCNCc1ccc(N(C)C2CCSC2)nn1
InChIInChI=1S/C11H18N4S/c1-12-7-9-3-4-11(14-13-9)15(2)10-5-6-16-8-10/h3-4,10,12H,5-8H2,1-2H3
InChIKeyXFQWHXNJWMOYSI-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.14
Rot. Bonds4

About N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine

N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine (PubChem CID 62280602) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine
PubChem CID62280602
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine
SMILESCNCc1ccc(N(C)C2CCSC2)nn1
InChIInChI=1S/C11H18N4S/c1-12-7-9-3-4-11(14-13-9)15(2)10-5-6-16-8-10/h3-4,10,12H,5-8H2,1-2H3
InChIKeyXFQWHXNJWMOYSI-UHFFFAOYSA-N
XLogP1.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-Methylpyridazin-3-yl)piperidin-3-amine
CID 53532673
3-Piperazin-1-yl-6-(2-thienyl)pyridazine
CID 24252645
1-(6-methylpyridazin-3-yl)-N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 53609249
1-(6-methylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 53615098
1-(6-methylpyridazin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-3-amine
CID 53616422
1-(6-methylpyridazin-3-yl)-N-(2-methylsulfonylethyl)piperidin-3-amine
CID 53617570
1-(6-methylpyridazin-3-yl)-N-[(3-methylthiophen-2-yl)methyl]piperidin-3-amine
CID 53625290
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 56778158
1-(6-methylpyridazin-3-yl)-N-(3-methylsulfonylpropyl)piperidin-3-amine
CID 72144293
N-(3-methylbut-2-enyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 72144296
1-(6-Methylpyridazin-3-yl)-1,4-diazepane
CID 22478609
1-(6-Methylpyridazin-3-yl)-1,4-diazepane dihydrobromide
CID 54593049

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine (CID 62280602) is N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine is CNCc1ccc(N(C)C2CCSC2)nn1.
What is the InChIKey of N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine?
The InChIKey is XFQWHXNJWMOYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-12-7-9-3-4-11(14-13-9)15(2)10-5-6-16-8-10/h3-4,10,12H,5-8H2,1-2H3.
What are the key properties of N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine?
N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine has a molecular weight of 238.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(methylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 62280602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).