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

C10H16ClN3O2S — CID 103167668

IUPAC5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
SMILESCCCn1c(CC2CCC2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H16ClN3O2S/c1-2-6-14-9(7-8-4-3-5-8)12-13-10(14)17(11,15)16/h8H,2-7H2,1H3
InChIKeyXFUCWKMOIRDSLF-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.96
Rot. Bonds5

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

5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 103167668) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
PubChem CID103167668
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
SMILESCCCn1c(CC2CCC2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H16ClN3O2S/c1-2-6-14-9(7-8-4-3-5-8)12-13-10(14)17(11,15)16/h8H,2-7H2,1H3
InChIKeyXFUCWKMOIRDSLF-UHFFFAOYSA-N
XLogP1.96
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride (CID 103167668) is 5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride is CCCn1c(CC2CCC2)nnc1S(=O)(=O)Cl.
What is the InChIKey of 5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is XFUCWKMOIRDSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-2-6-14-9(7-8-4-3-5-8)12-13-10(14)17(11,15)16/h8H,2-7H2,1H3.
What are the key properties of 5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride?
5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 277.78 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 103167668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).