1-ethenylsulfonyl-1,2,4-triazole

C4H5N3O2S — CID 55253242

IUPAC1-ethenylsulfonyl-1,2,4-triazole
SMILESC=CS(=O)(=O)n1cncn1
InChIInChI=1S/C4H5N3O2S/c1-2-10(8,9)7-4-5-3-6-7/h2-4H,1H2
InChIKeyBBNRWFQUQFROIG-UHFFFAOYSA-N
MW159.17 g/mol
LogP-0.40
Rot. Bonds2

About 1-ethenylsulfonyl-1,2,4-triazole

1-ethenylsulfonyl-1,2,4-triazole (PubChem CID 55253242) has the molecular formula C4H5N3O2S and a molecular weight of 159.17 g/mol. Its IUPAC name is 1-ethenylsulfonyl-1,2,4-triazole.

Molecular Properties

Compound Name1-ethenylsulfonyl-1,2,4-triazole
PubChem CID55253242
Molecular FormulaC4H5N3O2S
Molecular Weight159.17 g/mol
Exact Mass159.01
IUPAC Name1-ethenylsulfonyl-1,2,4-triazole
SMILESC=CS(=O)(=O)n1cncn1
InChIInChI=1S/C4H5N3O2S/c1-2-10(8,9)7-4-5-3-6-7/h2-4H,1H2
InChIKeyBBNRWFQUQFROIG-UHFFFAOYSA-N
XLogP-0.40
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-1,2,4-triazole?
The IUPAC name of 1-ethenylsulfonyl-1,2,4-triazole (CID 55253242) is 1-ethenylsulfonyl-1,2,4-triazole.
What is the SMILES notation for 1-ethenylsulfonyl-1,2,4-triazole?
The canonical SMILES for 1-ethenylsulfonyl-1,2,4-triazole is C=CS(=O)(=O)n1cncn1.
What is the InChIKey of 1-ethenylsulfonyl-1,2,4-triazole?
The InChIKey is BBNRWFQUQFROIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2S/c1-2-10(8,9)7-4-5-3-6-7/h2-4H,1H2.
What are the key properties of 1-ethenylsulfonyl-1,2,4-triazole?
1-ethenylsulfonyl-1,2,4-triazole has a molecular weight of 159.17 g/mol, XLogP of -0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-1,2,4-triazole is sourced from PubChem (CID 55253242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).