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

C11H13ClN4O4S — CID 136813012

IUPAC4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCOCCn1c(-c2c[nH]c(C)cc2=O)nnc1S(=O)(=O)Cl
InChIInChI=1S/C11H13ClN4O4S/c1-7-5-9(17)8(6-13-7)10-14-15-11(21(12,18)19)16(10)3-4-20-2/h5-6H,3-4H2,1-2H3,(H,13,17)
InChIKeyTVCCOSGRSDBKCX-UHFFFAOYSA-N
MW332.77 g/mol
LogP0.52
Rot. Bonds5

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

4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 136813012) has the molecular formula C11H13ClN4O4S and a molecular weight of 332.77 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride
PubChem CID136813012
Molecular FormulaC11H13ClN4O4S
Molecular Weight332.77 g/mol
Exact Mass332.03
IUPAC Name4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCOCCn1c(-c2c[nH]c(C)cc2=O)nnc1S(=O)(=O)Cl
InChIInChI=1S/C11H13ClN4O4S/c1-7-5-9(17)8(6-13-7)10-14-15-11(21(12,18)19)16(10)3-4-20-2/h5-6H,3-4H2,1-2H3,(H,13,17)
InChIKeyTVCCOSGRSDBKCX-UHFFFAOYSA-N
XLogP0.52
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride with MolForge

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Related Compounds

5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107967425
5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104786819
4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide
CID 136742909
4-(2-methoxyethyl)-5-(propoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107944163
4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366003
5-(methoxymethyl)-2-methyl-1H-pyridin-4-one
CID 175953336
5-(4-bromo-2-chlorophenyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
CID 113366179
5-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methyl-1H-pyridin-4-one
CID 136812988
5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
CID 104643384
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
CID 136812983
5-(1,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 114219312
3-(chloromethyl)-5-(2,5-dichlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397493

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride (CID 136813012) is 4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride is COCCn1c(-c2c[nH]c(C)cc2=O)nnc1S(=O)(=O)Cl.
What is the InChIKey of 4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is TVCCOSGRSDBKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O4S/c1-7-5-9(17)8(6-13-7)10-14-15-11(21(12,18)19)16(10)3-4-20-2/h5-6H,3-4H2,1-2H3,(H,13,17).
What are the key properties of 4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride?
4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 332.77 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 136813012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).