2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile

C13H9FN6S — CID 130365240

IUPAC2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1CSc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C13H9FN6S/c14-9-2-1-7(8(3-9)5-15)6-21-10-4-11(16)17-13-12(10)18-20-19-13/h1-4H,6H2,(H3,16,17,18,19,20)
InChIKeyOJAUFGFWGUVZFJ-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.24
Rot. Bonds3

About 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile

2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile (PubChem CID 130365240) has the molecular formula C13H9FN6S and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile
PubChem CID130365240
Molecular FormulaC13H9FN6S
Molecular Weight300.32 g/mol
Exact Mass300.06
IUPAC Name2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1CSc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C13H9FN6S/c14-9-2-1-7(8(3-9)5-15)6-21-10-4-11(16)17-13-12(10)18-20-19-13/h1-4H,6H2,(H3,16,17,18,19,20)
InChIKeyOJAUFGFWGUVZFJ-UHFFFAOYSA-N
XLogP2.24
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile 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 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile?
The IUPAC name of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile (CID 130365240) is 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile is N#Cc1cc(F)ccc1CSc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile?
The InChIKey is OJAUFGFWGUVZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN6S/c14-9-2-1-7(8(3-9)5-15)6-21-10-4-11(16)17-13-12(10)18-20-19-13/h1-4H,6H2,(H3,16,17,18,19,20).
What are the key properties of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile?
2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile has a molecular weight of 300.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-5-fluorobenzonitrile is sourced from PubChem (CID 130365240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).