2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide

C17H20N4O2 — CID 154786031

IUPAC2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide
SMILESCn1nc(NC(=O)C=C2CCCCC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H20N4O2/c1-20-17(23)21(14-10-6-3-7-11-14)16(19-20)18-15(22)12-13-8-4-2-5-9-13/h3,6-7,10-12H,2,4-5,8-9H2,1H3,(H,18,19,22)
InChIKeyIQLUTXVWIGTMCS-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.40
Rot. Bonds3

About 2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide

2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide (PubChem CID 154786031) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide
PubChem CID154786031
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide
SMILESCn1nc(NC(=O)C=C2CCCCC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H20N4O2/c1-20-17(23)21(14-10-6-3-7-11-14)16(19-20)18-15(22)12-13-8-4-2-5-9-13/h3,6-7,10-12H,2,4-5,8-9H2,1H3,(H,18,19,22)
InChIKeyIQLUTXVWIGTMCS-UHFFFAOYSA-N
XLogP2.40
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-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

Related Compounds

N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 167887735
5-chloro-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 14292613
5-amino-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 79006248
2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide
CID 90397848
ethyl 2-methyl-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxylate
CID 90397805
2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 94635187
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide
CID 118652798
4-(4-fluorophenyl)-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
CID 82841703
2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 90542873
N-methyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 71793786
5-(1-cyclohexylpiperidin-3-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 56754248
N-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide
CID 154483778

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide (CID 154786031) is 2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide is Cn1nc(NC(=O)C=C2CCCCC2)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is IQLUTXVWIGTMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20-17(23)21(14-10-6-3-7-11-14)16(19-20)18-15(22)12-13-8-4-2-5-9-13/h3,6-7,10-12H,2,4-5,8-9H2,1H3,(H,18,19,22).
What are the key properties of 2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide?
2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-N-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 154786031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).