3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole

C10H10FN3OS — CID 3088000

IUPAC3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole
SMILESCn1c(-c2ccccc2F)nnc1S(C)=O
InChIInChI=1S/C10H10FN3OS/c1-14-9(12-13-10(14)16(2)15)7-5-3-4-6-8(7)11/h3-6H,1-2H3
InChIKeyCNROQGMFSMASNW-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.36
Rot. Bonds2

About 3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole

3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole (PubChem CID 3088000) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole
PubChem CID3088000
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole
SMILESCn1c(-c2ccccc2F)nnc1S(C)=O
InChIInChI=1S/C10H10FN3OS/c1-14-9(12-13-10(14)16(2)15)7-5-3-4-6-8(7)11/h3-6H,1-2H3
InChIKeyCNROQGMFSMASNW-UHFFFAOYSA-N
XLogP1.36
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-3-methylsulfonyl-5-phenyl-4H-1,2,4-triazole
CID 164013
1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
CID 213226
3-(4-Chlorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole
CID 3044469
N,N-dimethyl-5-(methylthio)-3-p-tolyl-1H-1,2,4-triazole-1-carboxamide
CID 11425872
3-[[5-(2-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 2561205
2-[[4-Cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 16303954
3-(2-fluorophenyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662995
6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 946523
3-Butylsulfanyl-4-methyl-5-p-tolyl-4H-[1,2,4]triazole
CID 3167975
3-(Methylsulfanyl)-5-phenyl-1H-1,2,4-triazole
CID 605612
4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-ethyl-5-(methylthio)-
CID 208016
4H-1,2,4-Triazole, 4-methyl-3-(4-methylphenyl)-5-(methylthio)-
CID 817656

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole?
The IUPAC name of 3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole (CID 3088000) is 3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole?
The canonical SMILES for 3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole is Cn1c(-c2ccccc2F)nnc1S(C)=O.
What is the InChIKey of 3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole?
The InChIKey is CNROQGMFSMASNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-14-9(12-13-10(14)16(2)15)7-5-3-4-6-8(7)11/h3-6H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole?
3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole has a molecular weight of 239.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole is sourced from PubChem (CID 3088000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).