1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone

C15H25N3O2 — CID 116748443

IUPAC1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
SMILESCCCn1ncnc1CC(=O)C1(OCC)CCCCC1
InChIInChI=1S/C15H25N3O2/c1-3-10-18-14(16-12-17-18)11-13(19)15(20-4-2)8-6-5-7-9-15/h12H,3-11H2,1-2H3
InChIKeyLEXKGMBXMRFQMF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.54
Rot. Bonds7

About 1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone

1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone (PubChem CID 116748443) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
PubChem CID116748443
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
SMILESCCCn1ncnc1CC(=O)C1(OCC)CCCCC1
InChIInChI=1S/C15H25N3O2/c1-3-10-18-14(16-12-17-18)11-13(19)15(20-4-2)8-6-5-7-9-15/h12H,3-11H2,1-2H3
InChIKeyLEXKGMBXMRFQMF-UHFFFAOYSA-N
XLogP2.54
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone (CID 116748443) is 1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone is CCCn1ncnc1CC(=O)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is LEXKGMBXMRFQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-10-18-14(16-12-17-18)11-13(19)15(20-4-2)8-6-5-7-9-15/h12H,3-11H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 279.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 116748443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).