4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride

C6H10FN3O3S — CID 154578269

IUPAC4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCOCCn1c(C)nnc1S(=O)(=O)F
InChIInChI=1S/C6H10FN3O3S/c1-5-8-9-6(14(7,11)12)10(5)3-4-13-2/h3-4H2,1-2H3
InChIKeyZRESYFQFPSXLTG-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.11
Rot. Bonds4

About 4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride

4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 154578269) has the molecular formula C6H10FN3O3S and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID154578269
Molecular FormulaC6H10FN3O3S
Molecular Weight223.23 g/mol
Exact Mass223.04
IUPAC Name4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCOCCn1c(C)nnc1S(=O)(=O)F
InChIInChI=1S/C6H10FN3O3S/c1-5-8-9-6(14(7,11)12)10(5)3-4-13-2/h3-4H2,1-2H3
InChIKeyZRESYFQFPSXLTG-UHFFFAOYSA-N
XLogP-0.11
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methoxyethyl)-5-methyl-4H-1,2,4-triazole-3-sulfonamide
CID 104020492
4-(2-Methoxyethyl)-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
CID 14849503
4-(2-Methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213786
5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213787
4-(2-Methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103213788
4-Propan-2-yl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213790
4-Ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213801
4-Propyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213804
4-Methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213807
4-(2-Methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213811
4-Propan-2-yl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonamide
CID 103213819
4-Ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonamide
CID 103213829

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride (CID 154578269) is 4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride is COCCn1c(C)nnc1S(=O)(=O)F.
What is the InChIKey of 4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is ZRESYFQFPSXLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O3S/c1-5-8-9-6(14(7,11)12)10(5)3-4-13-2/h3-4H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride?
4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 223.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 154578269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).