3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one

C10H17N3O2 — CID 137017888

IUPAC3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCOC1(c2n[nH]c(=O)[nH]2)CCCCC1
InChIInChI=1S/C10H17N3O2/c1-2-15-10(6-4-3-5-7-10)8-11-9(14)13-12-8/h2-7H2,1H3,(H2,11,12,13,14)
InChIKeyFQMFIHRVTODEDR-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.29
Rot. Bonds3

About 3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137017888) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137017888
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCOC1(c2n[nH]c(=O)[nH]2)CCCCC1
InChIInChI=1S/C10H17N3O2/c1-2-15-10(6-4-3-5-7-10)8-11-9(14)13-12-8/h2-7H2,1H3,(H2,11,12,13,14)
InChIKeyFQMFIHRVTODEDR-UHFFFAOYSA-N
XLogP1.29
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 137017888) is 3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one is CCOC1(c2n[nH]c(=O)[nH]2)CCCCC1.
What is the InChIKey of 3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is FQMFIHRVTODEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-15-10(6-4-3-5-7-10)8-11-9(14)13-12-8/h2-7H2,1H3,(H2,11,12,13,14).
What are the key properties of 3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 211.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxycyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137017888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).