2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine

C9H7F3N4OS — CID 99858849

IUPAC2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine
SMILESC[S@](=O)c1nncn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H7F3N4OS/c1-18(17)8-15-14-5-16(8)7-3-2-6(4-13-7)9(10,11)12/h2-5H,1H3/t18-/m0/s1
InChIKeyQBXAAILMMDGECJ-SFHVURJKSA-N
MW276.24 g/mol
LogP1.42
Rot. Bonds2

About 2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine

2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine (PubChem CID 99858849) has the molecular formula C9H7F3N4OS and a molecular weight of 276.24 g/mol. Its IUPAC name is 2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine
PubChem CID99858849
Molecular FormulaC9H7F3N4OS
Molecular Weight276.24 g/mol
Exact Mass276.03
IUPAC Name2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine
SMILESC[S@](=O)c1nncn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H7F3N4OS/c1-18(17)8-15-14-5-16(8)7-3-2-6(4-13-7)9(10,11)12/h2-5H,1H3/t18-/m0/s1
InChIKeyQBXAAILMMDGECJ-SFHVURJKSA-N
XLogP1.42
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(R)-methylsulfinyl]-4-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]-1,2,4-triazole
CID 96536036
2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
CID 134947582
2-(triazol-2-yl)-5-(trifluoromethyl)pyridine
CID 102162192
3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381325
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5-(trifluoromethyl)pyridine
CID 114909548
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride
CID 90484283
3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381323

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine (CID 99858849) is 2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine is C[S@](=O)c1nncn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is QBXAAILMMDGECJ-SFHVURJKSA-N. The full InChI is InChI=1S/C9H7F3N4OS/c1-18(17)8-15-14-5-16(8)7-3-2-6(4-13-7)9(10,11)12/h2-5H,1H3/t18-/m0/s1.
What are the key properties of 2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine?
2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 276.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 99858849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).