2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide

C11H19N5OS — CID 3188532

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CSc1nncn1N
InChIInChI=1S/C11H19N5OS/c1-8-4-2-3-5-9(8)14-10(17)6-18-11-15-13-7-16(11)12/h7-9H,2-6,12H2,1H3,(H,14,17)
InChIKeyFJFMZKGUJAZDCT-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.78
Rot. Bonds4

About 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 3188532) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
PubChem CID3188532
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CSc1nncn1N
InChIInChI=1S/C11H19N5OS/c1-8-4-2-3-5-9(8)14-10(17)6-18-11-15-13-7-16(11)12/h7-9H,2-6,12H2,1H3,(H,14,17)
InChIKeyFJFMZKGUJAZDCT-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide (CID 3188532) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CSc1nncn1N.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is FJFMZKGUJAZDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-8-4-2-3-5-9(8)14-10(17)6-18-11-15-13-7-16(11)12/h7-9H,2-6,12H2,1H3,(H,14,17).
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 3188532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).