N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide

C11H16N4O — CID 639268

IUPACN-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)Nc1nc(C)n(C2=CCCCC2)n1
InChIInChI=1S/C11H16N4O/c1-8-12-11(13-9(2)16)14-15(8)10-6-4-3-5-7-10/h6H,3-5,7H2,1-2H3,(H,13,14,16)
InChIKeyCLAKOZJGSKJAAG-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.96
Rot. Bonds2

About N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide

N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 639268) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide
PubChem CID639268
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)Nc1nc(C)n(C2=CCCCC2)n1
InChIInChI=1S/C11H16N4O/c1-8-12-11(13-9(2)16)14-15(8)10-6-4-3-5-7-10/h6H,3-5,7H2,1-2H3,(H,13,14,16)
InChIKeyCLAKOZJGSKJAAG-UHFFFAOYSA-N
XLogP1.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]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 N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide (CID 639268) is N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide is CC(=O)Nc1nc(C)n(C2=CCCCC2)n1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is CLAKOZJGSKJAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-12-11(13-9(2)16)14-15(8)10-6-4-3-5-7-10/h6H,3-5,7H2,1-2H3,(H,13,14,16).
What are the key properties of N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide?
N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 220.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)-5-methyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 639268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).