1-(1-cyclohexyltriazol-4-yl)ethanone

C10H15N3O — CID 86085607

IUPAC1-(1-cyclohexyltriazol-4-yl)ethanone
SMILESCC(=O)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C10H15N3O/c1-8(14)10-7-13(12-11-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeySGMBUHQGRAZEQY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.99
Rot. Bonds2

About 1-(1-cyclohexyltriazol-4-yl)ethanone

1-(1-cyclohexyltriazol-4-yl)ethanone (PubChem CID 86085607) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(1-cyclohexyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-cyclohexyltriazol-4-yl)ethanone
PubChem CID86085607
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(1-cyclohexyltriazol-4-yl)ethanone
SMILESCC(=O)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C10H15N3O/c1-8(14)10-7-13(12-11-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeySGMBUHQGRAZEQY-UHFFFAOYSA-N
XLogP1.99
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyltriazol-4-yl)ethanone?
The IUPAC name of 1-(1-cyclohexyltriazol-4-yl)ethanone (CID 86085607) is 1-(1-cyclohexyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-cyclohexyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(1-cyclohexyltriazol-4-yl)ethanone is CC(=O)c1cn(C2CCCCC2)nn1.
What is the InChIKey of 1-(1-cyclohexyltriazol-4-yl)ethanone?
The InChIKey is SGMBUHQGRAZEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(14)10-7-13(12-11-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 1-(1-cyclohexyltriazol-4-yl)ethanone?
1-(1-cyclohexyltriazol-4-yl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyltriazol-4-yl)ethanone is sourced from PubChem (CID 86085607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).