3,5-diethyl-1-hydroxy-1,2,4-triazole

C6H11N3O — CID 19822786

IUPAC3,5-diethyl-1-hydroxy-1,2,4-triazole
SMILESCCc1nc(CC)n(O)n1
InChIInChI=1S/C6H11N3O/c1-3-5-7-6(4-2)9(10)8-5/h10H,3-4H2,1-2H3
InChIKeyXNEYDTIZGQQHLK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.64
Rot. Bonds2

About 3,5-diethyl-1-hydroxy-1,2,4-triazole

3,5-diethyl-1-hydroxy-1,2,4-triazole (PubChem CID 19822786) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3,5-diethyl-1-hydroxy-1,2,4-triazole.

Molecular Properties

Compound Name3,5-diethyl-1-hydroxy-1,2,4-triazole
PubChem CID19822786
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3,5-diethyl-1-hydroxy-1,2,4-triazole
SMILESCCc1nc(CC)n(O)n1
InChIInChI=1S/C6H11N3O/c1-3-5-7-6(4-2)9(10)8-5/h10H,3-4H2,1-2H3
InChIKeyXNEYDTIZGQQHLK-UHFFFAOYSA-N
XLogP0.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-hydroxy-1,2,4-triazole?
The IUPAC name of 3,5-diethyl-1-hydroxy-1,2,4-triazole (CID 19822786) is 3,5-diethyl-1-hydroxy-1,2,4-triazole.
What is the SMILES notation for 3,5-diethyl-1-hydroxy-1,2,4-triazole?
The canonical SMILES for 3,5-diethyl-1-hydroxy-1,2,4-triazole is CCc1nc(CC)n(O)n1.
What is the InChIKey of 3,5-diethyl-1-hydroxy-1,2,4-triazole?
The InChIKey is XNEYDTIZGQQHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-5-7-6(4-2)9(10)8-5/h10H,3-4H2,1-2H3.
What are the key properties of 3,5-diethyl-1-hydroxy-1,2,4-triazole?
3,5-diethyl-1-hydroxy-1,2,4-triazole has a molecular weight of 141.17 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-hydroxy-1,2,4-triazole is sourced from PubChem (CID 19822786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).