3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole

C10H11N3S — CID 57150850

IUPAC3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole
SMILESCSc1nc(C)nn1-c1ccccc1
InChIInChI=1S/C10H11N3S/c1-8-11-10(14-2)13(12-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyDWMMAGYRAWUQSY-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.30
Rot. Bonds2

About 3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole

3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole (PubChem CID 57150850) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole
PubChem CID57150850
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole
SMILESCSc1nc(C)nn1-c1ccccc1
InChIInChI=1S/C10H11N3S/c1-8-11-10(14-2)13(12-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyDWMMAGYRAWUQSY-UHFFFAOYSA-N
XLogP2.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole?
The IUPAC name of 3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole (CID 57150850) is 3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole?
The canonical SMILES for 3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole is CSc1nc(C)nn1-c1ccccc1.
What is the InChIKey of 3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole?
The InChIKey is DWMMAGYRAWUQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-8-11-10(14-2)13(12-8)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole?
3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole has a molecular weight of 205.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfanyl-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 57150850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).