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

C10H17N5OS — CID 47158117

IUPAC2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
SMILESCn1c(N)nnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C10H17N5OS/c1-15-9(11)13-14-10(15)17-6-8(16)12-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,11,13)(H,12,16)
InChIKeyGVCUQXPSWGLHJL-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.55
Rot. Bonds4

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

2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide (PubChem CID 47158117) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
PubChem CID47158117
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
SMILESCn1c(N)nnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C10H17N5OS/c1-15-9(11)13-14-10(15)17-6-8(16)12-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,11,13)(H,12,16)
InChIKeyGVCUQXPSWGLHJL-UHFFFAOYSA-N
XLogP0.55
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide (CID 47158117) is 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide is Cn1c(N)nnc1SCC(=O)NC1CCCC1.
What is the InChIKey of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide?
The InChIKey is GVCUQXPSWGLHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-15-9(11)13-14-10(15)17-6-8(16)12-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,11,13)(H,12,16).
What are the key properties of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide?
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide has a molecular weight of 255.35 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 47158117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).