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

C10H18FN3O2S — CID 165476841

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

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

5-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165476841) has the molecular formula C10H18FN3O2S and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165476841
Molecular FormulaC10H18FN3O2S
Molecular Weight263.34 g/mol
Exact Mass263.11
IUPAC Name5-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCn1c(CC(C)CC)nnc1S(=O)(=O)F
InChIInChI=1S/C10H18FN3O2S/c1-4-6-14-9(7-8(3)5-2)12-13-10(14)17(11,15)16/h8H,4-7H2,1-3H3
InChIKeyOLWNGWOXLSLSIO-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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride (CID 165476841) is 5-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride is CCCn1c(CC(C)CC)nnc1S(=O)(=O)F.
What is the InChIKey of 5-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is OLWNGWOXLSLSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3O2S/c1-4-6-14-9(7-8(3)5-2)12-13-10(14)17(11,15)16/h8H,4-7H2,1-3H3.
What are the key properties of 5-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride?
5-(2-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-(2-methylbutyl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165476841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).