3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole

C10H16N4O2S — CID 50971386

IUPAC3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole
SMILESCS(=O)(=O)N1CCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C10H16N4O2S/c1-17(15,16)14-6-2-3-8(14)10-11-9(12-13-10)7-4-5-7/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyJRAJFPHHADFIQF-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.78
Rot. Bonds3

About 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole

3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole (PubChem CID 50971386) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole
PubChem CID50971386
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole
SMILESCS(=O)(=O)N1CCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C10H16N4O2S/c1-17(15,16)14-6-2-3-8(14)10-11-9(12-13-10)7-4-5-7/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyJRAJFPHHADFIQF-UHFFFAOYSA-N
XLogP0.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole (CID 50971386) is 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole is CS(=O)(=O)N1CCCC1c1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole?
The InChIKey is JRAJFPHHADFIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-17(15,16)14-6-2-3-8(14)10-11-9(12-13-10)7-4-5-7/h7-8H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole?
3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole has a molecular weight of 256.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 50971386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).