7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

C12H10FN5S — CID 130365202

IUPAC7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2ccccc2F)c2n[nH]nc2n1
InChIInChI=1S/C12H10FN5S/c13-8-4-2-1-3-7(8)6-19-9-5-10(14)15-12-11(9)16-18-17-12/h1-5H,6H2,(H3,14,15,16,17,18)
InChIKeyJMLWUWYLBNAXLU-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.37
Rot. Bonds3

About 7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365202) has the molecular formula C12H10FN5S and a molecular weight of 275.31 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365202
Molecular FormulaC12H10FN5S
Molecular Weight275.31 g/mol
Exact Mass275.06
IUPAC Name7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2ccccc2F)c2n[nH]nc2n1
InChIInChI=1S/C12H10FN5S/c13-8-4-2-1-3-7(8)6-19-9-5-10(14)15-12-11(9)16-18-17-12/h1-5H,6H2,(H3,14,15,16,17,18)
InChIKeyJMLWUWYLBNAXLU-UHFFFAOYSA-N
XLogP2.37
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365202) is 7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(SCc2ccccc2F)c2n[nH]nc2n1.
What is the InChIKey of 7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is JMLWUWYLBNAXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5S/c13-8-4-2-1-3-7(8)6-19-9-5-10(14)15-12-11(9)16-18-17-12/h1-5H,6H2,(H3,14,15,16,17,18).
What are the key properties of 7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 275.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).