3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole

C5H7N3S — CID 3069742

IUPAC3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole
SMILESC=CSc1n[nH]c(C)n1
InChIInChI=1S/C5H7N3S/c1-3-9-5-6-4(2)7-8-5/h3H,1H2,2H3,(H,6,7,8)
InChIKeyQEULFNTXLZTRMT-UHFFFAOYSA-N
MW141.20 g/mol
LogP1.35
Rot. Bonds2

About 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole

3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole (PubChem CID 3069742) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole
PubChem CID3069742
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole
SMILESC=CSc1n[nH]c(C)n1
InChIInChI=1S/C5H7N3S/c1-3-9-5-6-4(2)7-8-5/h3H,1H2,2H3,(H,6,7,8)
InChIKeyQEULFNTXLZTRMT-UHFFFAOYSA-N
XLogP1.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole (CID 3069742) is 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole is C=CSc1n[nH]c(C)n1.
What is the InChIKey of 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole?
The InChIKey is QEULFNTXLZTRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c1-3-9-5-6-4(2)7-8-5/h3H,1H2,2H3,(H,6,7,8).
What are the key properties of 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole?
3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole has a molecular weight of 141.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 3069742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).