2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C10H8F3N5OS — CID 79876933

IUPAC2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(Sc2nc(C(F)(F)F)ccc2C(N)=O)n[nH]1
InChIInChI=1S/C10H8F3N5OS/c1-4-15-9(18-17-4)20-8-5(7(14)19)2-3-6(16-8)10(11,12)13/h2-3H,1H3,(H2,14,19)(H,15,17,18)
InChIKeyNNKYIWYMBLZYCB-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.78
Rot. Bonds3

About 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79876933) has the molecular formula C10H8F3N5OS and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79876933
Molecular FormulaC10H8F3N5OS
Molecular Weight303.27 g/mol
Exact Mass303.04
IUPAC Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(Sc2nc(C(F)(F)F)ccc2C(N)=O)n[nH]1
InChIInChI=1S/C10H8F3N5OS/c1-4-15-9(18-17-4)20-8-5(7(14)19)2-3-6(16-8)10(11,12)13/h2-3H,1H3,(H2,14,19)(H,15,17,18)
InChIKeyNNKYIWYMBLZYCB-UHFFFAOYSA-N
XLogP1.78
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide 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-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79876933) is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(Sc2nc(C(F)(F)F)ccc2C(N)=O)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NNKYIWYMBLZYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5OS/c1-4-15-9(18-17-4)20-8-5(7(14)19)2-3-6(16-8)10(11,12)13/h2-3H,1H3,(H2,14,19)(H,15,17,18).
What are the key properties of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 303.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79876933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).