N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide

C11H18N4OS — CID 155554172

IUPACN-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide
SMILESCSc1nncn1C(=O)NCC1CCCCC1
InChIInChI=1S/C11H18N4OS/c1-17-11-14-13-8-15(11)10(16)12-7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,16)
InChIKeyPHDGGLRGTBMLNY-UHFFFAOYSA-N
MW254.36 g/mol
LogP2.14
Rot. Bonds3

About N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide

N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide (PubChem CID 155554172) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide
PubChem CID155554172
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide
SMILESCSc1nncn1C(=O)NCC1CCCCC1
InChIInChI=1S/C11H18N4OS/c1-17-11-14-13-8-15(11)10(16)12-7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,16)
InChIKeyPHDGGLRGTBMLNY-UHFFFAOYSA-N
XLogP2.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-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-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide (CID 155554172) is N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide is CSc1nncn1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide?
The InChIKey is PHDGGLRGTBMLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-17-11-14-13-8-15(11)10(16)12-7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,16).
What are the key properties of N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide?
N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 155554172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).