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

C10H10FN3S — CID 3072804

IUPAC3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
SMILESCSc1nnc(-c2cccc(F)c2)n1C
InChIInChI=1S/C10H10FN3S/c1-14-9(12-13-10(14)15-2)7-4-3-5-8(11)6-7/h3-6H,1-2H3
InChIKeyIDJLCZSOBSQVFH-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.34
Rot. Bonds2

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

3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole (PubChem CID 3072804) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
PubChem CID3072804
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
SMILESCSc1nnc(-c2cccc(F)c2)n1C
InChIInChI=1S/C10H10FN3S/c1-14-9(12-13-10(14)15-2)7-4-3-5-8(11)6-7/h3-6H,1-2H3
InChIKeyIDJLCZSOBSQVFH-UHFFFAOYSA-N
XLogP2.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole?
The IUPAC name of 3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole (CID 3072804) is 3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole.
What is the SMILES notation for 3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole?
The canonical SMILES for 3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole is CSc1nnc(-c2cccc(F)c2)n1C.
What is the InChIKey of 3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole?
The InChIKey is IDJLCZSOBSQVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-14-9(12-13-10(14)15-2)7-4-3-5-8(11)6-7/h3-6H,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole?
3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole has a molecular weight of 223.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole is sourced from PubChem (CID 3072804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).