3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine

C8H6F3N5S — CID 1211430

IUPAC3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(Sc2ccc(C(F)(F)F)cn2)n[nH]1
InChIInChI=1S/C8H6F3N5S/c9-8(10,11)4-1-2-5(13-3-4)17-7-14-6(12)15-16-7/h1-3H,(H3,12,14,15,16)
InChIKeyJQIWLXBADGAZCI-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.95
Rot. Bonds2

About 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine

3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine (PubChem CID 1211430) has the molecular formula C8H6F3N5S and a molecular weight of 261.23 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine
PubChem CID1211430
Molecular FormulaC8H6F3N5S
Molecular Weight261.23 g/mol
Exact Mass261.03
IUPAC Name3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(Sc2ccc(C(F)(F)F)cn2)n[nH]1
InChIInChI=1S/C8H6F3N5S/c9-8(10,11)4-1-2-5(13-3-4)17-7-14-6(12)15-16-7/h1-3H,(H3,12,14,15,16)
InChIKeyJQIWLXBADGAZCI-UHFFFAOYSA-N
XLogP1.95
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-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 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine (CID 1211430) is 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine is Nc1nc(Sc2ccc(C(F)(F)F)cn2)n[nH]1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine?
The InChIKey is JQIWLXBADGAZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5S/c9-8(10,11)4-1-2-5(13-3-4)17-7-14-6(12)15-16-7/h1-3H,(H3,12,14,15,16).
What are the key properties of 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine?
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine has a molecular weight of 261.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 1211430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).