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

C7H8N4O3S — CID 3153956

IUPAC5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine
SMILESCS(=O)(=O)n1nc(-c2ccco2)nc1N
InChIInChI=1S/C7H8N4O3S/c1-15(12,13)11-7(8)9-6(10-11)5-3-2-4-14-5/h2-4H,1H3,(H2,8,9,10)
InChIKeyLTAMWUUOSRFGOV-UHFFFAOYSA-N
MW228.23 g/mol
LogP-0.07
Rot. Bonds2

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

5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine (PubChem CID 3153956) has the molecular formula C7H8N4O3S and a molecular weight of 228.23 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine
PubChem CID3153956
Molecular FormulaC7H8N4O3S
Molecular Weight228.23 g/mol
Exact Mass228.03
IUPAC Name5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine
SMILESCS(=O)(=O)n1nc(-c2ccco2)nc1N
InChIInChI=1S/C7H8N4O3S/c1-15(12,13)11-7(8)9-6(10-11)5-3-2-4-14-5/h2-4H,1H3,(H2,8,9,10)
InChIKeyLTAMWUUOSRFGOV-UHFFFAOYSA-N
XLogP-0.07
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine (CID 3153956) is 5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine is CS(=O)(=O)n1nc(-c2ccco2)nc1N.
What is the InChIKey of 5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine?
The InChIKey is LTAMWUUOSRFGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3S/c1-15(12,13)11-7(8)9-6(10-11)5-3-2-4-14-5/h2-4H,1H3,(H2,8,9,10).
What are the key properties of 5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine?
5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine has a molecular weight of 228.23 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 3153956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).