4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one

C6H11N3O3 — CID 107410760

IUPAC4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCOCCO
InChIInChI=1S/C6H11N3O3/c10-2-4-12-3-1-9-5-7-8-6(9)11/h5,10H,1-4H2,(H,8,11)
InChIKeyNTAFLSJXFGQAMB-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.42
Rot. Bonds5

About 4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one

4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one (PubChem CID 107410760) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one
PubChem CID107410760
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCOCCO
InChIInChI=1S/C6H11N3O3/c10-2-4-12-3-1-9-5-7-8-6(9)11/h5,10H,1-4H2,(H,8,11)
InChIKeyNTAFLSJXFGQAMB-UHFFFAOYSA-N
XLogP-1.42
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one (CID 107410760) is 4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CCOCCO.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one?
The InChIKey is NTAFLSJXFGQAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c10-2-4-12-3-1-9-5-7-8-6(9)11/h5,10H,1-4H2,(H,8,11).
What are the key properties of 4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one?
4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one has a molecular weight of 173.17 g/mol, XLogP of -1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).