3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C11H9N5S — CID 7217669

IUPAC3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCSc1nnc2ccc(-c3ccccn3)nn12
InChIInChI=1S/C11H9N5S/c1-17-11-14-13-10-6-5-9(15-16(10)11)8-4-2-3-7-12-8/h2-7H,1H3
InChIKeyHTZZGYVXYFOCPP-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.91
Rot. Bonds2

About 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 7217669) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID7217669
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCSc1nnc2ccc(-c3ccccn3)nn12
InChIInChI=1S/C11H9N5S/c1-17-11-14-13-10-6-5-9(15-16(10)11)8-4-2-3-7-12-8/h2-7H,1H3
InChIKeyHTZZGYVXYFOCPP-UHFFFAOYSA-N
XLogP1.91
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole
CID 571203
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
2-Methyl-7-(2-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 610950
6-Methyl-3-(4-pyridinyl)[1,2,4]triazolo[3,4-a]phthalazine
CID 1266914
6-[4-(2-Pyridyl)piperazino][1,2,4]triazolo[4,3-B]pyridazine
CID 9550140
3-(Pyridin-4-yl)imidazo[1,2-b]pyridazine
CID 52946794
2,3-Dimethyl-6-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)ethyl)imidazo[1,2-b]pyridazine
CID 72706863
US10399985, Example 23
CID 118278081
US10399985, Example 29
CID 118278224
US10399985, Example 27
CID 118278230
2-[(1-Methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44549080
2-Methyl-7-(4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 1472842

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 7217669) is 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is CSc1nnc2ccc(-c3ccccn3)nn12.
What is the InChIKey of 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HTZZGYVXYFOCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c1-17-11-14-13-10-6-5-9(15-16(10)11)8-4-2-3-7-12-8/h2-7H,1H3.
What are the key properties of 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 243.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 7217669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).