5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride

C7H10FN3O2S — CID 165463003

IUPAC5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCn1c(C2CCC2)nnc1S(=O)(=O)F
InChIInChI=1S/C7H10FN3O2S/c1-11-6(5-3-2-4-5)9-10-7(11)14(8,12)13/h5H,2-4H2,1H3
InChIKeyXXUCXYJIPPJJBQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.74
Rot. Bonds2

About 5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride

5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165463003) has the molecular formula C7H10FN3O2S and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165463003
Molecular FormulaC7H10FN3O2S
Molecular Weight219.24 g/mol
Exact Mass219.05
IUPAC Name5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCn1c(C2CCC2)nnc1S(=O)(=O)F
InChIInChI=1S/C7H10FN3O2S/c1-11-6(5-3-2-4-5)9-10-7(11)14(8,12)13/h5H,2-4H2,1H3
InChIKeyXXUCXYJIPPJJBQ-UHFFFAOYSA-N
XLogP0.74
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-methyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462955
5-ethyl-4-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462957
4-(2,2-dimethylpropyl)-5-ethyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462958
5-(2-methylpropyl)-4-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462959
4-methyl-5-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462992
4-butyl-5-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462993
4-ethyl-5-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462994
4-(propan-2-yl)-5-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462995
4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462999
5-(propan-2-yl)-4-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165463000
4-methyl-5-(2-methylbutan-2-yl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165463007
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-methyl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride (CID 165463003) is 5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride is Cn1c(C2CCC2)nnc1S(=O)(=O)F.
What is the InChIKey of 5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is XXUCXYJIPPJJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2S/c1-11-6(5-3-2-4-5)9-10-7(11)14(8,12)13/h5H,2-4H2,1H3.
What are the key properties of 5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride?
5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 219.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165463003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).