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

C8H14FN3O2S — CID 165463007

IUPAC4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCC(C)(C)c1nnc(S(=O)(=O)F)n1C
InChIInChI=1S/C8H14FN3O2S/c1-5-8(2,3)6-10-11-7(12(6)4)15(9,13)14/h5H2,1-4H3
InChIKeyIXIQZGXRQWDRNB-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.16
Rot. Bonds3

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

4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165463007) has the molecular formula C8H14FN3O2S and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165463007
Molecular FormulaC8H14FN3O2S
Molecular Weight235.28 g/mol
Exact Mass235.08
IUPAC Name4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCC(C)(C)c1nnc(S(=O)(=O)F)n1C
InChIInChI=1S/C8H14FN3O2S/c1-5-8(2,3)6-10-11-7(12(6)4)15(9,13)14/h5H2,1-4H3
InChIKeyIXIQZGXRQWDRNB-UHFFFAOYSA-N
XLogP1.16
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Propyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104019779
4-(2-Methylpropyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104020318
5-(2-Fluoropropan-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide
CID 130561827
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-cyclopropyl-5-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462996

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride (CID 165463007) is 4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride is CCC(C)(C)c1nnc(S(=O)(=O)F)n1C.
What is the InChIKey of 4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is IXIQZGXRQWDRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O2S/c1-5-8(2,3)6-10-11-7(12(6)4)15(9,13)14/h5H2,1-4H3.
What are the key properties of 4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride?
4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 235.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165463007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).