3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one

C11H19N3O2 — CID 137017898

IUPAC3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCOC(c1n[nH]c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C11H19N3O2/c1-2-16-9(8-6-4-3-5-7-8)10-12-11(15)14-13-10/h8-9H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyYGSMRGYQZCGVIH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.76
Rot. Bonds4

About 3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137017898) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137017898
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCOC(c1n[nH]c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C11H19N3O2/c1-2-16-9(8-6-4-3-5-7-8)10-12-11(15)14-13-10/h8-9H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyYGSMRGYQZCGVIH-UHFFFAOYSA-N
XLogP1.76
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Methoxy-4-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017882
3-(1-Ethoxy-4-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017883
3-(1-Ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017888
3-(1-Ethoxy-3-methylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017892
3-(1-Ethoxycycloheptyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017895
3-(1-Ethoxy-4,4-dimethylcyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017896
3-[Cyclohexyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137017897
3-(1-Methoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137017899

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137017898) is 3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one is CCOC(c1n[nH]c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is YGSMRGYQZCGVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-16-9(8-6-4-3-5-7-8)10-12-11(15)14-13-10/h8-9H,2-7H2,1H3,(H2,12,13,14,15).
What are the key properties of 3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 225.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137017898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).