1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide

C13H17N5O2 — CID 63569793

IUPAC1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide
SMILESCCc1ccccc1OCCn1cc(C(=O)NN)nn1
InChIInChI=1S/C13H17N5O2/c1-2-10-5-3-4-6-12(10)20-8-7-18-9-11(16-17-18)13(19)15-14/h3-6,9H,2,7-8,14H2,1H3,(H,15,19)
InChIKeyDILCGYRIRFKLPY-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.52
Rot. Bonds6

About 1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide

1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide (PubChem CID 63569793) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide
PubChem CID63569793
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide
SMILESCCc1ccccc1OCCn1cc(C(=O)NN)nn1
InChIInChI=1S/C13H17N5O2/c1-2-10-5-3-4-6-12(10)20-8-7-18-9-11(16-17-18)13(19)15-14/h3-6,9H,2,7-8,14H2,1H3,(H,15,19)
InChIKeyDILCGYRIRFKLPY-UHFFFAOYSA-N
XLogP0.52
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide (CID 63569793) is 1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide is CCc1ccccc1OCCn1cc(C(=O)NN)nn1.
What is the InChIKey of 1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide?
The InChIKey is DILCGYRIRFKLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-10-5-3-4-6-12(10)20-8-7-18-9-11(16-17-18)13(19)15-14/h3-6,9H,2,7-8,14H2,1H3,(H,15,19).
What are the key properties of 1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide?
1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide has a molecular weight of 275.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63569793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).