3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine

C14H12FN5S — CID 936370

IUPAC3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine
SMILESNn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1
InChIInChI=1S/C14H12FN5S/c15-11-6-4-10(5-7-11)9-21-14-19-18-13(20(14)16)12-3-1-2-8-17-12/h1-8H,9,16H2
InChIKeyLYPZSIQVEWJLFV-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.49
Rot. Bonds4

About 3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine

3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine (PubChem CID 936370) has the molecular formula C14H12FN5S and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine
PubChem CID936370
Molecular FormulaC14H12FN5S
Molecular Weight301.35 g/mol
Exact Mass301.08
IUPAC Name3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine
SMILESNn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1
InChIInChI=1S/C14H12FN5S/c15-11-6-4-10(5-7-11)9-21-14-19-18-13(20(14)16)12-3-1-2-8-17-12/h1-8H,9,16H2
InChIKeyLYPZSIQVEWJLFV-UHFFFAOYSA-N
XLogP2.49
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-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 3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine (CID 936370) is 3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine is Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine?
The InChIKey is LYPZSIQVEWJLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5S/c15-11-6-4-10(5-7-11)9-21-14-19-18-13(20(14)16)12-3-1-2-8-17-12/h1-8H,9,16H2.
What are the key properties of 3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine?
3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine has a molecular weight of 301.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 936370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).