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

C9H14FN3O3S — CID 165488320

IUPAC5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCOCCn1c(C2CCC2)nnc1S(=O)(=O)F
InChIInChI=1S/C9H14FN3O3S/c1-16-6-5-13-8(7-3-2-4-7)11-12-9(13)17(10,14)15/h7H,2-6H2,1H3
InChIKeyVVLLGBVVEGGFHG-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.85
Rot. Bonds5

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

5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165488320) has the molecular formula C9H14FN3O3S and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165488320
Molecular FormulaC9H14FN3O3S
Molecular Weight263.29 g/mol
Exact Mass263.07
IUPAC Name5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCOCCn1c(C2CCC2)nnc1S(=O)(=O)F
InChIInChI=1S/C9H14FN3O3S/c1-16-6-5-13-8(7-3-2-4-7)11-12-9(13)17(10,14)15/h7H,2-6H2,1H3
InChIKeyVVLLGBVVEGGFHG-UHFFFAOYSA-N
XLogP0.85
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-Methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213811
5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018321
4-(2-Methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018433
4-(2-Methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonamide
CID 104020595
4-(2-Methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride
CID 154578269
5-ethyl-4-(2-methoxyethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462956
5-(2-methylpropyl)-4-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462959
4-ethyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165463001
5-(methoxymethyl)-4-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165463002
5-cyclobutyl-4-methyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165463003
4-ethyl-5-(oxetan-3-yl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165463009
4-ethyl-5-(2-methylbutyl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165463011

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride (CID 165488320) is 5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride is COCCn1c(C2CCC2)nnc1S(=O)(=O)F.
What is the InChIKey of 5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is VVLLGBVVEGGFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O3S/c1-16-6-5-13-8(7-3-2-4-7)11-12-9(13)17(10,14)15/h7H,2-6H2,1H3.
What are the key properties of 5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride?
5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 263.29 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165488320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).