1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one

C14H23N3O — CID 140927533

IUPAC1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)Cn1cc(C2CCCCC2)nn1
InChIInChI=1S/C14H23N3O/c1-14(2,3)13(18)10-17-9-12(15-16-17)11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3
InChIKeyFGFIZLMSZWJMJT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one

1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one (PubChem CID 140927533) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one
PubChem CID140927533
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)Cn1cc(C2CCCCC2)nn1
InChIInChI=1S/C14H23N3O/c1-14(2,3)13(18)10-17-9-12(15-16-17)11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3
InChIKeyFGFIZLMSZWJMJT-UHFFFAOYSA-N
XLogP2.94
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one 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

1-amino-3-[4-(1,1-dimethylpiperidin-1-ium-4-yl)triazol-1-yl]propan-2-one
CID 159595242
(2R)-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371665
1-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-2-(4-cyclopropyltriazol-1-yl)ethanone
CID 97076394
(2S,3S)-2-amino-1-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-3-methylpentan-1-one
CID 46994272
N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide
CID 46999186
methyl (2S)-2-amino-3-(4-cyclopropyltriazol-1-yl)propanoate
CID 59640741
N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
CID 66215796
1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide
CID 126785756
1,4-dicyclohexyltriazole
CID 46204135
1-amino-3-[4-(1,1-dimethylpiperidin-1-ium-4-yl)triazol-1-yl]propan-2-one;methyl 2-[4-(1,1-dimethylpiperidin-1-ium-4-yl)triazol-1-yl]acetate
CID 160622582
N-[(2R,3S,6R)-6-[2-(4-cyclohexyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-(dimethylamino)acetamide
CID 54645748
4-cyclopropyl-1-(3-methylbutyl)triazole
CID 139426325

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one (CID 140927533) is 1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)Cn1cc(C2CCCCC2)nn1.
What is the InChIKey of 1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one?
The InChIKey is FGFIZLMSZWJMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)13(18)10-17-9-12(15-16-17)11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one?
1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 140927533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).