1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide

C11H21N5O2 — CID 63574398

IUPAC1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide
SMILESCC(C)CC(C)OCCn1cc(C(=O)NN)nn1
InChIInChI=1S/C11H21N5O2/c1-8(2)6-9(3)18-5-4-16-7-10(14-15-16)11(17)13-12/h7-9H,4-6,12H2,1-3H3,(H,13,17)
InChIKeyJUDLUKFVGPFEKY-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.33
Rot. Bonds7

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

1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide (PubChem CID 63574398) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide
PubChem CID63574398
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide
SMILESCC(C)CC(C)OCCn1cc(C(=O)NN)nn1
InChIInChI=1S/C11H21N5O2/c1-8(2)6-9(3)18-5-4-16-7-10(14-15-16)11(17)13-12/h7-9H,4-6,12H2,1-3H3,(H,13,17)
InChIKeyJUDLUKFVGPFEKY-UHFFFAOYSA-N
XLogP0.33
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.33
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'}

Analyze 1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide
CID 63575951
1-(2-cyclohexyloxyethyl)triazole-4-carbohydrazide
CID 63588317
1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 63580485
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 130468342
1-[2-(3-aminobutylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 66234837
1-[2-(3-hydroxybutan-2-ylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 107772080
1-[2-[propan-2-yl(propyl)amino]ethyl]triazole-4-carbohydrazide
CID 63574218
1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide
CID 114158101
1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide
CID 55214193
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63575381
1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide
CID 63569793

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide (CID 63574398) is 1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide is CC(C)CC(C)OCCn1cc(C(=O)NN)nn1.
What is the InChIKey of 1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide?
The InChIKey is JUDLUKFVGPFEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-8(2)6-9(3)18-5-4-16-7-10(14-15-16)11(17)13-12/h7-9H,4-6,12H2,1-3H3,(H,13,17).
What are the key properties of 1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide?
1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide has a molecular weight of 255.32 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63574398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).