4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione

C6H10FN3OS — CID 165482340

IUPAC4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione
SMILESCOCc1n[nH]c(=S)n1CCF
InChIInChI=1S/C6H10FN3OS/c1-11-4-5-8-9-6(12)10(5)3-2-7/h2-4H2,1H3,(H,9,12)
InChIKeyNFWFYQLKBUFTFB-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.06
Rot. Bonds4

About 4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione

4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione (PubChem CID 165482340) has the molecular formula C6H10FN3OS and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione
PubChem CID165482340
Molecular FormulaC6H10FN3OS
Molecular Weight191.23 g/mol
Exact Mass191.05
IUPAC Name4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione
SMILESCOCc1n[nH]c(=S)n1CCF
InChIInChI=1S/C6H10FN3OS/c1-11-4-5-8-9-6(12)10(5)3-2-7/h2-4H2,1H3,(H,9,12)
InChIKeyNFWFYQLKBUFTFB-UHFFFAOYSA-N
XLogP1.06
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione 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

4-(2-Methoxyethyl)-5-propyl-4h-1,2,4-triazole-3-thiol
CID 3228303
5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol
CID 3283745
3-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole-5-thione
CID 63827907
3-ethyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole-5-thione
CID 63827908
3-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole-5-thione
CID 63828270
3-(hydroxymethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole-5-thione
CID 81606959
4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-5-thione
CID 103208779
4-propyl-3-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-5-thione
CID 103208782
4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-5-thione
CID 103208784
4-propan-2-yl-3-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-5-thione
CID 103208790
4-(2-methylpropyl)-3-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-5-thione
CID 103208797
4-methyl-3-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole-5-thione
CID 103208800

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione (CID 165482340) is 4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione is COCc1n[nH]c(=S)n1CCF.
What is the InChIKey of 4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione?
The InChIKey is NFWFYQLKBUFTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3OS/c1-11-4-5-8-9-6(12)10(5)3-2-7/h2-4H2,1H3,(H,9,12).
What are the key properties of 4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione?
4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione has a molecular weight of 191.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 165482340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).