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

C10H8F3N5OS — CID 79877746

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1cnnc1Sc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C10H8F3N5OS/c1-18-4-15-17-9(18)20-8-5(7(14)19)2-3-6(16-8)10(11,12)13/h2-4H,1H3,(H2,14,19)
InChIKeyQAGDJJCTTDRQSE-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.48
Rot. Bonds3

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

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79877746) has the molecular formula C10H8F3N5OS and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79877746
Molecular FormulaC10H8F3N5OS
Molecular Weight303.27 g/mol
Exact Mass303.04
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1cnnc1Sc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C10H8F3N5OS/c1-18-4-15-17-9(18)20-8-5(7(14)19)2-3-6(16-8)10(11,12)13/h2-4H,1H3,(H2,14,19)
InChIKeyQAGDJJCTTDRQSE-UHFFFAOYSA-N
XLogP1.48
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79877746) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cn1cnnc1Sc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QAGDJJCTTDRQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5OS/c1-18-4-15-17-9(18)20-8-5(7(14)19)2-3-6(16-8)10(11,12)13/h2-4H,1H3,(H2,14,19).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 303.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79877746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).