2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine

C8H10N4O3S — CID 828748

IUPAC2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)n1nc(-c2ccco2)nc1N
InChIInChI=1S/C8H10N4O3S/c1-2-16(13,14)12-8(9)10-7(11-12)6-4-3-5-15-6/h3-5H,2H2,1H3,(H2,9,10,11)
InChIKeyTYOOLEOCWDOHQL-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.32
Rot. Bonds3

About 2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine

2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine (PubChem CID 828748) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine
PubChem CID828748
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)n1nc(-c2ccco2)nc1N
InChIInChI=1S/C8H10N4O3S/c1-2-16(13,14)12-8(9)10-7(11-12)6-4-3-5-15-6/h3-5H,2H2,1H3,(H2,9,10,11)
InChIKeyTYOOLEOCWDOHQL-UHFFFAOYSA-N
XLogP0.32
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine (CID 828748) is 2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine is CCS(=O)(=O)n1nc(-c2ccco2)nc1N.
What is the InChIKey of 2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is TYOOLEOCWDOHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-2-16(13,14)12-8(9)10-7(11-12)6-4-3-5-15-6/h3-5H,2H2,1H3,(H2,9,10,11).
What are the key properties of 2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine?
2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 242.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 828748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).