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

C17H12FN5S — CID 7532081

IUPAC3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cccc(CSc2nnc3ccc(-c4ccncc4)nn23)c1
InChIInChI=1S/C17H12FN5S/c18-14-3-1-2-12(10-14)11-24-17-21-20-16-5-4-15(22-23(16)17)13-6-8-19-9-7-13/h1-10H,11H2
InChIKeyPRUFJCLGUFZHLG-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.62
Rot. Bonds4

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

3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 7532081) has the molecular formula C17H12FN5S and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID7532081
Molecular FormulaC17H12FN5S
Molecular Weight337.38 g/mol
Exact Mass337.08
IUPAC Name3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cccc(CSc2nnc3ccc(-c4ccncc4)nn23)c1
InChIInChI=1S/C17H12FN5S/c18-14-3-1-2-12(10-14)11-24-17-21-20-16-5-4-15(22-23(16)17)13-6-8-19-9-7-13/h1-10H,11H2
InChIKeyPRUFJCLGUFZHLG-UHFFFAOYSA-N
XLogP3.62
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
CID 2988303
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
4-(4-Ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 931757
3-((4-Fluorobenzyl)thio)-5-(2-pyridinyl)-4H-1,2,4-triazol-4-ylamine
CID 936370
4-(5-((4-Fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-YL)pyridine
CID 937714
6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 7532081) is 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine is Fc1cccc(CSc2nnc3ccc(-c4ccncc4)nn23)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is PRUFJCLGUFZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5S/c18-14-3-1-2-12(10-14)11-24-17-21-20-16-5-4-15(22-23(16)17)13-6-8-19-9-7-13/h1-10H,11H2.
What are the key properties of 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 337.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 7532081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).