5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride

C8H12ClN3O2S — CID 103167670

IUPAC5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride
SMILESCn1c(CC2CCC2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C8H12ClN3O2S/c1-12-7(5-6-3-2-4-6)10-11-8(12)15(9,13)14/h6H,2-5H2,1H3
InChIKeyUHKTUCAWOMQFLI-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.09
Rot. Bonds3

About 5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride

5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 103167670) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride
PubChem CID103167670
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride
SMILESCn1c(CC2CCC2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C8H12ClN3O2S/c1-12-7(5-6-3-2-4-6)10-11-8(12)15(9,13)14/h6H,2-5H2,1H3
InChIKeyUHKTUCAWOMQFLI-UHFFFAOYSA-N
XLogP1.09
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride (CID 103167670) is 5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride is Cn1c(CC2CCC2)nnc1S(=O)(=O)Cl.
What is the InChIKey of 5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is UHKTUCAWOMQFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-12-7(5-6-3-2-4-6)10-11-8(12)15(9,13)14/h6H,2-5H2,1H3.
What are the key properties of 5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride?
5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 249.72 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 103167670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).