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

C11H19N5OS — CID 35395811

IUPAC2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
SMILESCn1c(N)nnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C11H19N5OS/c1-16-10(12)14-15-11(16)18-7-9(17)13-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,12,14)(H,13,17)
InChIKeyWBEHBLQNFVLMSS-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.94
Rot. Bonds4

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

2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide (PubChem CID 35395811) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
PubChem CID35395811
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
SMILESCn1c(N)nnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C11H19N5OS/c1-16-10(12)14-15-11(16)18-7-9(17)13-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,12,14)(H,13,17)
InChIKeyWBEHBLQNFVLMSS-UHFFFAOYSA-N
XLogP0.94
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.94
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-cyclohexylacetamide?
The IUPAC name of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide (CID 35395811) is 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide is Cn1c(N)nnc1SCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide?
The InChIKey is WBEHBLQNFVLMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-16-10(12)14-15-11(16)18-7-9(17)13-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,12,14)(H,13,17).
What are the key properties of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide?
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide has a molecular weight of 269.37 g/mol, XLogP of 0.94, 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-cyclohexylacetamide is sourced from PubChem (CID 35395811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).