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

C13H17N5O3 — CID 63574383

IUPAC1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCOCCOc2ccccc2)nn1
InChIInChI=1S/C13H17N5O3/c14-15-13(19)12-10-18(17-16-12)6-7-20-8-9-21-11-4-2-1-3-5-11/h1-5,10H,6-9,14H2,(H,15,19)
InChIKeyVIMDTYLJZRSVEP-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.02
Rot. Bonds8

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

1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide (PubChem CID 63574383) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide
PubChem CID63574383
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCOCCOc2ccccc2)nn1
InChIInChI=1S/C13H17N5O3/c14-15-13(19)12-10-18(17-16-12)6-7-20-8-9-21-11-4-2-1-3-5-11/h1-5,10H,6-9,14H2,(H,15,19)
InChIKeyVIMDTYLJZRSVEP-UHFFFAOYSA-N
XLogP-0.02
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carboxylic acid
CID 43151029
1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide
CID 63575951
[1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 62455620
1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63586475
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-[2-(2-bromophenoxy)ethyl]triazole-4-carbohydrazide
CID 63574657
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-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide
CID 63679833
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63575381
1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide
CID 63569793
1-[2-(3-chloro-4-fluorophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576753

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide (CID 63574383) is 1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide is NNC(=O)c1cn(CCOCCOc2ccccc2)nn1.
What is the InChIKey of 1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide?
The InChIKey is VIMDTYLJZRSVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c14-15-13(19)12-10-18(17-16-12)6-7-20-8-9-21-11-4-2-1-3-5-11/h1-5,10H,6-9,14H2,(H,15,19).
What are the key properties of 1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide?
1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide has a molecular weight of 291.31 g/mol, XLogP of -0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63574383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).