3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine

C14H24N4S — CID 56786373

IUPAC3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine
SMILESCSc1ccc(N2CCN(CCC(C)C)CC2)nn1
InChIInChI=1S/C14H24N4S/c1-12(2)6-7-17-8-10-18(11-9-17)13-4-5-14(19-3)16-15-13/h4-5,12H,6-11H2,1-3H3
InChIKeyMFTKWWDWLXOSAZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.37
Rot. Bonds5

About 3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine

3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine (PubChem CID 56786373) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine
PubChem CID56786373
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine
SMILESCSc1ccc(N2CCN(CCC(C)C)CC2)nn1
InChIInChI=1S/C14H24N4S/c1-12(2)6-7-17-8-10-18(11-9-17)13-4-5-14(19-3)16-15-13/h4-5,12H,6-11H2,1-3H3
InChIKeyMFTKWWDWLXOSAZ-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[6-(2-methylpropyl)pyridazin-3-yl]piperazin-1-yl]ethanamine
CID 116972594
2-(6-methylsulfanylpyridazin-3-yl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322916
6-methylsulfanyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridazin-3-amine
CID 133307184
3-chloro-6-(4-propylpiperazin-1-yl)pyridazine
CID 43090208
[6-(4-propylpiperazin-1-yl)pyridazin-3-yl]methanamine
CID 55054734
3-methylsulfanyl-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133412698
3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine
CID 133435774
N-methyl-1-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridazin-3-yl]methanamine
CID 62777120
1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine
CID 176935059
3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine
CID 133349542
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121038195
2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine
CID 61312903

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine?
The IUPAC name of 3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine (CID 56786373) is 3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine.
What is the SMILES notation for 3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine?
The canonical SMILES for 3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine is CSc1ccc(N2CCN(CCC(C)C)CC2)nn1.
What is the InChIKey of 3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine?
The InChIKey is MFTKWWDWLXOSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-12(2)6-7-17-8-10-18(11-9-17)13-4-5-14(19-3)16-15-13/h4-5,12H,6-11H2,1-3H3.
What are the key properties of 3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine?
3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine has a molecular weight of 280.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine is sourced from PubChem (CID 56786373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).