N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide

C11H18N4O2S — CID 14404856

IUPACN-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCSc1nn(C(=O)NC2CCCCC2)c(=O)n1C
InChIInChI=1S/C11H18N4O2S/c1-14-10(18-2)13-15(11(14)17)9(16)12-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyADQILYOJKGEFMG-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.19
Rot. Bonds2

About N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide

N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 14404856) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID14404856
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCSc1nn(C(=O)NC2CCCCC2)c(=O)n1C
InChIInChI=1S/C11H18N4O2S/c1-14-10(18-2)13-15(11(14)17)9(16)12-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyADQILYOJKGEFMG-UHFFFAOYSA-N
XLogP1.19
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide (CID 14404856) is N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide is CSc1nn(C(=O)NC2CCCCC2)c(=O)n1C.
What is the InChIKey of N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is ADQILYOJKGEFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-14-10(18-2)13-15(11(14)17)9(16)12-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,12,16).
What are the key properties of N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide?
N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 14404856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).