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

C8H8N4O2S — CID 697181

IUPAC1-(benzenesulfonyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C8H8N4O2S/c9-8-10-6-12(11-8)15(13,14)7-4-2-1-3-5-7/h1-6H,(H2,9,11)
InChIKeyFWCIEWLJSUAFHO-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.10
Rot. Bonds2

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

1-(benzenesulfonyl)-1,2,4-triazol-3-amine (PubChem CID 697181) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-1,2,4-triazol-3-amine
PubChem CID697181
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name1-(benzenesulfonyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C8H8N4O2S/c9-8-10-6-12(11-8)15(13,14)7-4-2-1-3-5-7/h1-6H,(H2,9,11)
InChIKeyFWCIEWLJSUAFHO-UHFFFAOYSA-N
XLogP0.10
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(benzenesulfonyl)-1,2,4-triazol-3-amine (CID 697181) is 1-(benzenesulfonyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(benzenesulfonyl)-1,2,4-triazol-3-amine is Nc1ncn(S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-1,2,4-triazol-3-amine?
The InChIKey is FWCIEWLJSUAFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c9-8-10-6-12(11-8)15(13,14)7-4-2-1-3-5-7/h1-6H,(H2,9,11).
What are the key properties of 1-(benzenesulfonyl)-1,2,4-triazol-3-amine?
1-(benzenesulfonyl)-1,2,4-triazol-3-amine has a molecular weight of 224.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 697181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).