3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole

C5H9N3S — CID 3228180

IUPAC3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole
SMILESCSc1nnc(C)n1C
InChIInChI=1S/C5H9N3S/c1-4-6-7-5(9-3)8(4)2/h1-3H3
InChIKeyAYCWKAFDLXEDFP-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.85
Rot. Bonds1

About 3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole

3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole (PubChem CID 3228180) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is 3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole
PubChem CID3228180
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole
SMILESCSc1nnc(C)n1C
InChIInChI=1S/C5H9N3S/c1-4-6-7-5(9-3)8(4)2/h1-3H3
InChIKeyAYCWKAFDLXEDFP-UHFFFAOYSA-N
XLogP0.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole?
The IUPAC name of 3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole (CID 3228180) is 3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole.
What is the SMILES notation for 3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole?
The canonical SMILES for 3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole is CSc1nnc(C)n1C.
What is the InChIKey of 3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole?
The InChIKey is AYCWKAFDLXEDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-4-6-7-5(9-3)8(4)2/h1-3H3.
What are the key properties of 3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole?
3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole has a molecular weight of 143.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-methylsulfanyl-1,2,4-triazole is sourced from PubChem (CID 3228180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).