6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C16H19N7S — CID 154768884

IUPAC6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCSCc1ccc(N2CCN(c3ccc4nncn4n3)CC2)nc1
InChIInChI=1S/C16H19N7S/c1-24-11-13-2-3-14(17-10-13)21-6-8-22(9-7-21)16-5-4-15-19-18-12-23(15)20-16/h2-5,10,12H,6-9,11H2,1H3
InChIKeyXCJBYAUHWDLPPG-UHFFFAOYSA-N
MW341.44 g/mol
LogP1.71
Rot. Bonds4

About 6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 154768884) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID154768884
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCSCc1ccc(N2CCN(c3ccc4nncn4n3)CC2)nc1
InChIInChI=1S/C16H19N7S/c1-24-11-13-2-3-14(17-10-13)21-6-8-22(9-7-21)16-5-4-15-19-18-12-23(15)20-16/h2-5,10,12H,6-9,11H2,1H3
InChIKeyXCJBYAUHWDLPPG-UHFFFAOYSA-N
XLogP1.71
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 171702464
6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 171996785
2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 165434332
6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95348946
6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166884300
6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133281338
6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrido[2,3-b]pyrazine
CID 133281306
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 163352969
N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine
CID 70771534
6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430
4-bromo-2-methyl-5-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-one
CID 86942820
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 139023196

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 154768884) is 6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CSCc1ccc(N2CCN(c3ccc4nncn4n3)CC2)nc1.
What is the InChIKey of 6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is XCJBYAUHWDLPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/c1-24-11-13-2-3-14(17-10-13)21-6-8-22(9-7-21)16-5-4-15-19-18-12-23(15)20-16/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 341.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 154768884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).