4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one

C6H11N3O2 — CID 89117906

IUPAC4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one
SMILESCCn1cnn(CCO)c1=O
InChIInChI=1S/C6H11N3O2/c1-2-8-5-7-9(3-4-10)6(8)11/h5,10H,2-4H2,1H3
InChIKeySGPLHEPKYMVMBI-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.94
Rot. Bonds3

About 4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one

4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one (PubChem CID 89117906) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one
PubChem CID89117906
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one
SMILESCCn1cnn(CCO)c1=O
InChIInChI=1S/C6H11N3O2/c1-2-8-5-7-9(3-4-10)6(8)11/h5,10H,2-4H2,1H3
InChIKeySGPLHEPKYMVMBI-UHFFFAOYSA-N
XLogP-0.94
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one (CID 89117906) is 4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one is CCn1cnn(CCO)c1=O.
What is the InChIKey of 4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one?
The InChIKey is SGPLHEPKYMVMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-2-8-5-7-9(3-4-10)6(8)11/h5,10H,2-4H2,1H3.
What are the key properties of 4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one?
4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one has a molecular weight of 157.17 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 89117906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).