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

C12H9F2N5S — CID 130365193

IUPAC7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2cc(F)ccc2F)c2n[nH]nc2n1
InChIInChI=1S/C12H9F2N5S/c13-7-1-2-8(14)6(3-7)5-20-9-4-10(15)16-12-11(9)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19)
InChIKeyRCBJCYIAPZHJOT-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.51
Rot. Bonds3

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

7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365193) has the molecular formula C12H9F2N5S and a molecular weight of 293.30 g/mol. Its IUPAC name is 7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365193
Molecular FormulaC12H9F2N5S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2cc(F)ccc2F)c2n[nH]nc2n1
InChIInChI=1S/C12H9F2N5S/c13-7-1-2-8(14)6(3-7)5-20-9-4-10(15)16-12-11(9)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19)
InChIKeyRCBJCYIAPZHJOT-UHFFFAOYSA-N
XLogP2.51
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365193) is 7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(SCc2cc(F)ccc2F)c2n[nH]nc2n1.
What is the InChIKey of 7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is RCBJCYIAPZHJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5S/c13-7-1-2-8(14)6(3-7)5-20-9-4-10(15)16-12-11(9)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19).
What are the key properties of 7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 293.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).