5,6-dimethyl-1,2,4-triazine-3-sulfonamide

C5H8N4O2S — CID 114787525

IUPAC5,6-dimethyl-1,2,4-triazine-3-sulfonamide
SMILESCc1nnc(S(N)(=O)=O)nc1C
InChIInChI=1S/C5H8N4O2S/c1-3-4(2)8-9-5(7-3)12(6,10)11/h1-2H3,(H2,6,10,11)
InChIKeyADKMTVQYYSNTQF-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.86
Rot. Bonds1

About 5,6-dimethyl-1,2,4-triazine-3-sulfonamide

5,6-dimethyl-1,2,4-triazine-3-sulfonamide (PubChem CID 114787525) has the molecular formula C5H8N4O2S and a molecular weight of 188.21 g/mol. Its IUPAC name is 5,6-dimethyl-1,2,4-triazine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dimethyl-1,2,4-triazine-3-sulfonamide
PubChem CID114787525
Molecular FormulaC5H8N4O2S
Molecular Weight188.21 g/mol
Exact Mass188.04
IUPAC Name5,6-dimethyl-1,2,4-triazine-3-sulfonamide
SMILESCc1nnc(S(N)(=O)=O)nc1C
InChIInChI=1S/C5H8N4O2S/c1-3-4(2)8-9-5(7-3)12(6,10)11/h1-2H3,(H2,6,10,11)
InChIKeyADKMTVQYYSNTQF-UHFFFAOYSA-N
XLogP-0.86
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,2,4-triazine-3-sulfonamide?
The IUPAC name of 5,6-dimethyl-1,2,4-triazine-3-sulfonamide (CID 114787525) is 5,6-dimethyl-1,2,4-triazine-3-sulfonamide.
What is the SMILES notation for 5,6-dimethyl-1,2,4-triazine-3-sulfonamide?
The canonical SMILES for 5,6-dimethyl-1,2,4-triazine-3-sulfonamide is Cc1nnc(S(N)(=O)=O)nc1C.
What is the InChIKey of 5,6-dimethyl-1,2,4-triazine-3-sulfonamide?
The InChIKey is ADKMTVQYYSNTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S/c1-3-4(2)8-9-5(7-3)12(6,10)11/h1-2H3,(H2,6,10,11).
What are the key properties of 5,6-dimethyl-1,2,4-triazine-3-sulfonamide?
5,6-dimethyl-1,2,4-triazine-3-sulfonamide has a molecular weight of 188.21 g/mol, XLogP of -0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,2,4-triazine-3-sulfonamide is sourced from PubChem (CID 114787525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).