5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide

C10H16N4O2S — CID 103167678

IUPAC5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide
SMILESNS(=O)(=O)c1nnc(CC2CCC2)n1C1CC1
InChIInChI=1S/C10H16N4O2S/c11-17(15,16)10-13-12-9(6-7-2-1-3-7)14(10)8-4-5-8/h7-8H,1-6H2,(H2,11,15,16)
InChIKeyPUMGSLHVCBTOPR-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.60
Rot. Bonds4

About 5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide

5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide (PubChem CID 103167678) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide
PubChem CID103167678
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide
SMILESNS(=O)(=O)c1nnc(CC2CCC2)n1C1CC1
InChIInChI=1S/C10H16N4O2S/c11-17(15,16)10-13-12-9(6-7-2-1-3-7)14(10)8-4-5-8/h7-8H,1-6H2,(H2,11,15,16)
InChIKeyPUMGSLHVCBTOPR-UHFFFAOYSA-N
XLogP0.60
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide (CID 103167678) is 5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide is NS(=O)(=O)c1nnc(CC2CCC2)n1C1CC1.
What is the InChIKey of 5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide?
The InChIKey is PUMGSLHVCBTOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c11-17(15,16)10-13-12-9(6-7-2-1-3-7)14(10)8-4-5-8/h7-8H,1-6H2,(H2,11,15,16).
What are the key properties of 5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide?
5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103167678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).