1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine

C9H10N4O2S2 — CID 169426067

IUPAC1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)nn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10N4O2S2/c1-16-9-11-8(10)12-13(9)17(14,15)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,12)
InChIKeyURZAZDUQJSCLSU-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.82
Rot. Bonds3

About 1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine

1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine (PubChem CID 169426067) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine
PubChem CID169426067
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC Name1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)nn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10N4O2S2/c1-16-9-11-8(10)12-13(9)17(14,15)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,12)
InChIKeyURZAZDUQJSCLSU-UHFFFAOYSA-N
XLogP0.82
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine (CID 169426067) is 1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine is CSc1nc(N)nn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine?
The InChIKey is URZAZDUQJSCLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c1-16-9-11-8(10)12-13(9)17(14,15)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,12).
What are the key properties of 1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine?
1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine has a molecular weight of 270.34 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 169426067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).