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

C10H15N3O — CID 86163285

IUPAC1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)C1CCCCC1
InChIInChI=1S/C10H15N3O/c14-10(6-13-8-11-7-12-13)9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyYMIOCRMVERXJLR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.43
Rot. Bonds3

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

1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 86163285) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID86163285
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)C1CCCCC1
InChIInChI=1S/C10H15N3O/c14-10(6-13-8-11-7-12-13)9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyYMIOCRMVERXJLR-UHFFFAOYSA-N
XLogP1.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone (CID 86163285) is 1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is YMIOCRMVERXJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10(6-13-8-11-7-12-13)9-4-2-1-3-5-9/h7-9H,1-6H2.
What are the key properties of 1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone?
1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 86163285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).