1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide

C11H14N6O2 — CID 55214193

IUPAC1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide
SMILESCc1ccc(OCCn2cc(C(=O)NN)nn2)cn1
InChIInChI=1S/C11H14N6O2/c1-8-2-3-9(6-13-8)19-5-4-17-7-10(15-16-17)11(18)14-12/h2-3,6-7H,4-5,12H2,1H3,(H,14,18)
InChIKeyQYLWNQRVFGGDRR-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.34
Rot. Bonds5

About 1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide

1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide (PubChem CID 55214193) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide
PubChem CID55214193
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide
SMILESCc1ccc(OCCn2cc(C(=O)NN)nn2)cn1
InChIInChI=1S/C11H14N6O2/c1-8-2-3-9(6-13-8)19-5-4-17-7-10(15-16-17)11(18)14-12/h2-3,6-7H,4-5,12H2,1H3,(H,14,18)
InChIKeyQYLWNQRVFGGDRR-UHFFFAOYSA-N
XLogP-0.34
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-[2-(4-chloro-3-ethylphenoxy)ethyl]triazole-4-carbohydrazide
CID 63576428
1-[2-(3-chloro-4-fluorophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576753
1-[2-(4-bromo-3-fluorophenoxy)ethyl]triazole-4-carbohydrazide
CID 65202985
1-[2-(2-bromophenoxy)ethyl]triazole-4-carbohydrazide
CID 63574657
1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide
CID 63574383
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63575381
1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide
CID 63569793
1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide
CID 63679833
1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide
CID 63574398
1-[2-(2,4,5-trichlorophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576197
1-[2-(2,4,6-tribromophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576810

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide (CID 55214193) is 1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide is Cc1ccc(OCCn2cc(C(=O)NN)nn2)cn1.
What is the InChIKey of 1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide?
The InChIKey is QYLWNQRVFGGDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-8-2-3-9(6-13-8)19-5-4-17-7-10(15-16-17)11(18)14-12/h2-3,6-7H,4-5,12H2,1H3,(H,14,18).
What are the key properties of 1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide?
1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide has a molecular weight of 262.27 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 55214193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).