2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine

C10H12N4O2S — CID 653199

IUPAC2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)n1nc(-c2ccccc2)nc1N
InChIInChI=1S/C10H12N4O2S/c1-2-17(15,16)14-10(11)12-9(13-14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12,13)
InChIKeyGEIMODJOWYTODX-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.73
Rot. Bonds3

About 2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine

2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine (PubChem CID 653199) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine
PubChem CID653199
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)n1nc(-c2ccccc2)nc1N
InChIInChI=1S/C10H12N4O2S/c1-2-17(15,16)14-10(11)12-9(13-14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12,13)
InChIKeyGEIMODJOWYTODX-UHFFFAOYSA-N
XLogP0.73
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine (CID 653199) is 2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine is CCS(=O)(=O)n1nc(-c2ccccc2)nc1N.
What is the InChIKey of 2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine?
The InChIKey is GEIMODJOWYTODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-2-17(15,16)14-10(11)12-9(13-14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12,13).
What are the key properties of 2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine?
2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine has a molecular weight of 252.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 653199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).