2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

C9H15N5OS — CID 2426480

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
SMILESNc1nc(SCC(=O)NC2CCCC2)n[nH]1
InChIInChI=1S/C9H15N5OS/c10-8-12-9(14-13-8)16-5-7(15)11-6-3-1-2-4-6/h6H,1-5H2,(H,11,15)(H3,10,12,13,14)
InChIKeyXSIQUZIQRDEGBC-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.54
Rot. Bonds4

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide (PubChem CID 2426480) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
PubChem CID2426480
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
SMILESNc1nc(SCC(=O)NC2CCCC2)n[nH]1
InChIInChI=1S/C9H15N5OS/c10-8-12-9(14-13-8)16-5-7(15)11-6-3-1-2-4-6/h6H,1-5H2,(H,11,15)(H3,10,12,13,14)
InChIKeyXSIQUZIQRDEGBC-UHFFFAOYSA-N
XLogP0.54
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide (CID 2426480) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide is Nc1nc(SCC(=O)NC2CCCC2)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide?
The InChIKey is XSIQUZIQRDEGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c10-8-12-9(14-13-8)16-5-7(15)11-6-3-1-2-4-6/h6H,1-5H2,(H,11,15)(H3,10,12,13,14).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide has a molecular weight of 241.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 2426480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).