5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride

C10H18FN3O2S — CID 165488318

IUPAC5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCn1c(CCC(C)C)nnc1S(=O)(=O)F
InChIInChI=1S/C10H18FN3O2S/c1-4-7-14-9(6-5-8(2)3)12-13-10(14)17(11,15)16/h8H,4-7H2,1-3H3
InChIKeyHACWRJUKGUJJDQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.93
Rot. Bonds6

About 5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride

5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165488318) has the molecular formula C10H18FN3O2S and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165488318
Molecular FormulaC10H18FN3O2S
Molecular Weight263.34 g/mol
Exact Mass263.11
IUPAC Name5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCn1c(CCC(C)C)nnc1S(=O)(=O)F
InChIInChI=1S/C10H18FN3O2S/c1-4-7-14-9(6-5-8(2)3)12-13-10(14)17(11,15)16/h8H,4-7H2,1-3H3
InChIKeyHACWRJUKGUJJDQ-UHFFFAOYSA-N
XLogP1.93
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-methylbutyl)-4-propyl-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

5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
CID 103311341
5-(4,4-Difluorocyclohexyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 104018554
4-Ethyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole-3-sulfonyl chloride
CID 104019391
4-Ethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazole-3-sulfonyl chloride
CID 104019394
5-(4,4-Difluorocyclohexyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
CID 104019645
4-Propyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104019779
5-(4,4-Difluorocyclohexyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride
CID 104019915
5-(4,4-Difluorocyclohexyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104020205
4-(2-Methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104020306
4-(2-Methylpropyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104020318
4-Ethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazole-3-sulfonamide
CID 104021593
5-(4,4-Difluorocyclohexyl)-4-propyl-1,2,4-triazole-3-sulfonamide
CID 104021962

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride (CID 165488318) is 5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride is CCCn1c(CCC(C)C)nnc1S(=O)(=O)F.
What is the InChIKey of 5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is HACWRJUKGUJJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3O2S/c1-4-7-14-9(6-5-8(2)3)12-13-10(14)17(11,15)16/h8H,4-7H2,1-3H3.
What are the key properties of 5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride?
5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 263.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165488318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).