4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide

C10H13N5O4S — CID 136742909

IUPAC4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide
SMILESCOCCn1c(-c2ccc(=O)[nH]c2)nnc1S(N)(=O)=O
InChIInChI=1S/C10H13N5O4S/c1-19-5-4-15-9(7-2-3-8(16)12-6-7)13-14-10(15)20(11,17)18/h2-3,6H,4-5H2,1H3,(H,12,16)(H2,11,17,18)
InChIKeyOKLZHQAIZUWWLT-UHFFFAOYSA-N
MW299.31 g/mol
LogP-1.07
Rot. Bonds5

About 4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide

4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide (PubChem CID 136742909) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide
PubChem CID136742909
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Name4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide
SMILESCOCCn1c(-c2ccc(=O)[nH]c2)nnc1S(N)(=O)=O
InChIInChI=1S/C10H13N5O4S/c1-19-5-4-15-9(7-2-3-8(16)12-6-7)13-14-10(15)20(11,17)18/h2-3,6H,4-5H2,1H3,(H,12,16)(H2,11,17,18)
InChIKeyOKLZHQAIZUWWLT-UHFFFAOYSA-N
XLogP-1.07
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
CID 104643384
4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 136813012
5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one
CID 136742882
5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104786819
4-(2-methoxyethyl)-5-(2-methyloxolan-3-yl)-1,2,4-triazole-3-sulfonamide
CID 113366276
5-[4-(4-bromophenyl)sulfonylphenyl]-4-ethyl-1,2,4-triazole-3-sulfonamide
CID 10434896
5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one
CID 136577815
5-(3-fluoro-5-methylphenyl)-4-propyl-1,2,4-triazole-3-sulfonamide
CID 113396096
3-[4-(2-methoxyethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
CID 82442056
1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide
CID 82520710
4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide
CID 113396095
5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione
CID 107104127

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide (CID 136742909) is 4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide is COCCn1c(-c2ccc(=O)[nH]c2)nnc1S(N)(=O)=O.
What is the InChIKey of 4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is OKLZHQAIZUWWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-19-5-4-15-9(7-2-3-8(16)12-6-7)13-14-10(15)20(11,17)18/h2-3,6H,4-5H2,1H3,(H,12,16)(H2,11,17,18).
What are the key properties of 4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide?
4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 299.31 g/mol, XLogP of -1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 136742909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).