2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide

C13H19N5O — CID 47138925

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cn2cnc(C#N)n2)C1C
InChIInChI=1S/C13H19N5O/c1-9-4-3-5-11(10(9)2)16-13(19)7-18-8-15-12(6-14)17-18/h8-11H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyURRHKZWECIQMDS-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.09
Rot. Bonds3

About 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide

2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 47138925) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID47138925
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cn2cnc(C#N)n2)C1C
InChIInChI=1S/C13H19N5O/c1-9-4-3-5-11(10(9)2)16-13(19)7-18-8-15-12(6-14)17-18/h8-11H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyURRHKZWECIQMDS-UHFFFAOYSA-N
XLogP1.09
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide 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 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide (CID 47138925) is 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)Cn2cnc(C#N)n2)C1C.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is URRHKZWECIQMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-4-3-5-11(10(9)2)16-13(19)7-18-8-15-12(6-14)17-18/h8-11H,3-5,7H2,1-2H3,(H,16,19).
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide?
2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 261.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 47138925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).