4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide

C8H10N6O2S2 — CID 73352538

IUPAC4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide
SMILESCSc1nc(N)n(-c2ccncc2S(N)(=O)=O)n1
InChIInChI=1S/C8H10N6O2S2/c1-17-8-12-7(9)14(13-8)5-2-3-11-4-6(5)18(10,15)16/h2-4H,1H3,(H2,9,12,13)(H2,10,15,16)
InChIKeyVPPAXTRQUWCOJD-UHFFFAOYSA-N
MW286.34 g/mol
LogP-0.39
Rot. Bonds3

About 4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide

4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide (PubChem CID 73352538) has the molecular formula C8H10N6O2S2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide
PubChem CID73352538
Molecular FormulaC8H10N6O2S2
Molecular Weight286.34 g/mol
Exact Mass286.03
IUPAC Name4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide
SMILESCSc1nc(N)n(-c2ccncc2S(N)(=O)=O)n1
InChIInChI=1S/C8H10N6O2S2/c1-17-8-12-7(9)14(13-8)5-2-3-11-4-6(5)18(10,15)16/h2-4H,1H3,(H2,9,12,13)(H2,10,15,16)
InChIKeyVPPAXTRQUWCOJD-UHFFFAOYSA-N
XLogP-0.39
TPSA129.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide (CID 73352538) is 4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide is CSc1nc(N)n(-c2ccncc2S(N)(=O)=O)n1.
What is the InChIKey of 4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide?
The InChIKey is VPPAXTRQUWCOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S2/c1-17-8-12-7(9)14(13-8)5-2-3-11-4-6(5)18(10,15)16/h2-4H,1H3,(H2,9,12,13)(H2,10,15,16).
What are the key properties of 4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide?
4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide has a molecular weight of 286.34 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 73352538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).