3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one

C6H11N3O2 — CID 21249847

IUPAC3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCOc1n[nH]c(=O)n1CC
InChIInChI=1S/C6H11N3O2/c1-3-9-5(10)7-8-6(9)11-4-2/h3-4H2,1-2H3,(H,7,10)
InChIKeyCQGOCPRJGCTRJA-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.01
Rot. Bonds3

About 3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one

3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 21249847) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one
PubChem CID21249847
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCOc1n[nH]c(=O)n1CC
InChIInChI=1S/C6H11N3O2/c1-3-9-5(10)7-8-6(9)11-4-2/h3-4H2,1-2H3,(H,7,10)
InChIKeyCQGOCPRJGCTRJA-UHFFFAOYSA-N
XLogP-0.01
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one (CID 21249847) is 3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one is CCOc1n[nH]c(=O)n1CC.
What is the InChIKey of 3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is CQGOCPRJGCTRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-3-9-5(10)7-8-6(9)11-4-2/h3-4H2,1-2H3,(H,7,10).
What are the key properties of 3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one?
3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 157.17 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 21249847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).