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

C9H16FN3O3S — CID 165476824

IUPAC5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCCc1nnc(S(=O)(=O)F)n1CCOC
InChIInChI=1S/C9H16FN3O3S/c1-3-4-5-8-11-12-9(17(10,14)15)13(8)6-7-16-2/h3-7H2,1-2H3
InChIKeyVLGQRORZHUHZGZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.93
Rot. Bonds7

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

5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165476824) has the molecular formula C9H16FN3O3S and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165476824
Molecular FormulaC9H16FN3O3S
Molecular Weight265.31 g/mol
Exact Mass265.09
IUPAC Name5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCCc1nnc(S(=O)(=O)F)n1CCOC
InChIInChI=1S/C9H16FN3O3S/c1-3-4-5-8-11-12-9(17(10,14)15)13(8)6-7-16-2/h3-7H2,1-2H3
InChIKeyVLGQRORZHUHZGZ-UHFFFAOYSA-N
XLogP0.93
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-butyl-4-(2-methoxyethyl)-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-(2-methoxyethyl)-5-methyl-4H-1,2,4-triazole-3-sulfonamide
CID 104020492
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-Propyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213804
5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
CID 103213815
5-(difluoromethyl)-4-(2-methoxyethyl)-4H-1,2,4-triazole-3-sulfonyl chloride
CID 104018314
5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018321
4-(2-Methoxyethyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018420
4-(2-Methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018433
4-(2-Methoxyethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018457
4-(2-Methoxyethyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-sulfonamide
CID 104020546
4-(2-Methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonamide
CID 104020595

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride (CID 165476824) is 5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride is CCCCc1nnc(S(=O)(=O)F)n1CCOC.
What is the InChIKey of 5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is VLGQRORZHUHZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3O3S/c1-3-4-5-8-11-12-9(17(10,14)15)13(8)6-7-16-2/h3-7H2,1-2H3.
What are the key properties of 5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride?
5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 265.31 g/mol, XLogP of 0.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165476824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).