2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone

C16H19N3O — CID 594054

IUPAC2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(CC1CCCCC1c1ccccc1)n1cncn1
InChIInChI=1S/C16H19N3O/c20-16(19-12-17-11-18-19)10-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-3,6-7,11-12,14-15H,4-5,8-10H2
InChIKeyKVAVOSSQUAAAFO-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.28
Rot. Bonds3

About 2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone

2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone (PubChem CID 594054) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone
PubChem CID594054
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(CC1CCCCC1c1ccccc1)n1cncn1
InChIInChI=1S/C16H19N3O/c20-16(19-12-17-11-18-19)10-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-3,6-7,11-12,14-15H,4-5,8-10H2
InChIKeyKVAVOSSQUAAAFO-UHFFFAOYSA-N
XLogP3.28
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone 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-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone (CID 594054) is 2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone is O=C(CC1CCCCC1c1ccccc1)n1cncn1.
What is the InChIKey of 2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is KVAVOSSQUAAAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(19-12-17-11-18-19)10-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-3,6-7,11-12,14-15H,4-5,8-10H2.
What are the key properties of 2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone?
2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 269.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylcyclohexyl)-1-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 594054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).