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

C10H17N5OS — CID 2304193

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
SMILESNc1nc(SCC(=O)NC2CCCCC2)n[nH]1
InChIInChI=1S/C10H17N5OS/c11-9-13-10(15-14-9)17-6-8(16)12-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,16)(H3,11,13,14,15)
InChIKeyFHQWLDJASGFNDA-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.93
Rot. Bonds4

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

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide (PubChem CID 2304193) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
PubChem CID2304193
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
SMILESNc1nc(SCC(=O)NC2CCCCC2)n[nH]1
InChIInChI=1S/C10H17N5OS/c11-9-13-10(15-14-9)17-6-8(16)12-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,16)(H3,11,13,14,15)
InChIKeyFHQWLDJASGFNDA-UHFFFAOYSA-N
XLogP0.93
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.93
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-cyclohexylacetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide (CID 2304193) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide is Nc1nc(SCC(=O)NC2CCCCC2)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide?
The InChIKey is FHQWLDJASGFNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c11-9-13-10(15-14-9)17-6-8(16)12-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,16)(H3,11,13,14,15).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide has a molecular weight of 255.35 g/mol, XLogP of 0.93, 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-cyclohexylacetamide is sourced from PubChem (CID 2304193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).