1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide

C12H14ClN5O2 — CID 63586475

IUPAC1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCOCc2ccccc2Cl)nn1
InChIInChI=1S/C12H14ClN5O2/c13-10-4-2-1-3-9(10)8-20-6-5-18-7-11(16-17-18)12(19)15-14/h1-4,7H,5-6,8,14H2,(H,15,19)
InChIKeyHLSFNXNHPCCUIS-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.75
Rot. Bonds6

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

1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide (PubChem CID 63586475) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide
PubChem CID63586475
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCOCc2ccccc2Cl)nn1
InChIInChI=1S/C12H14ClN5O2/c13-10-4-2-1-3-9(10)8-20-6-5-18-7-11(16-17-18)12(19)15-14/h1-4,7H,5-6,8,14H2,(H,15,19)
InChIKeyHLSFNXNHPCCUIS-UHFFFAOYSA-N
XLogP0.75
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide
CID 63578074
1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide
CID 63574383
1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide
CID 63679833
1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide
CID 63569793
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63575381
1-[2-(4-chloro-3-ethylphenoxy)ethyl]triazole-4-carbohydrazide
CID 63576428
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-[2-(2-bromophenoxy)ethyl]triazole-4-carbohydrazide
CID 63574657
1-[1-[2-[(2-chlorophenyl)methoxy]ethyl]triazol-4-yl]-N-methylmethanamine
CID 62445319
1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide
CID 63575951
1-[2-(2,4,6-trichlorophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576124
1-[2-(2,4,5-trichlorophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576197

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide (CID 63586475) is 1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide is NNC(=O)c1cn(CCOCc2ccccc2Cl)nn1.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide?
The InChIKey is HLSFNXNHPCCUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c13-10-4-2-1-3-9(10)8-20-6-5-18-7-11(16-17-18)12(19)15-14/h1-4,7H,5-6,8,14H2,(H,15,19).
What are the key properties of 1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide?
1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide has a molecular weight of 295.73 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63586475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).