1-(2-methoxyethyl)triazole-4-carbohydrazide

C6H11N5O2 — CID 63587191

IUPAC1-(2-methoxyethyl)triazole-4-carbohydrazide
SMILESCOCCn1cc(C(=O)NN)nn1
InChIInChI=1S/C6H11N5O2/c1-13-3-2-11-4-5(9-10-11)6(12)8-7/h4H,2-3,7H2,1H3,(H,8,12)
InChIKeySOBVOJYBWAJHNH-UHFFFAOYSA-N
MW185.19 g/mol
LogP-1.47
Rot. Bonds4

About 1-(2-methoxyethyl)triazole-4-carbohydrazide

1-(2-methoxyethyl)triazole-4-carbohydrazide (PubChem CID 63587191) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-(2-methoxyethyl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-methoxyethyl)triazole-4-carbohydrazide
PubChem CID63587191
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name1-(2-methoxyethyl)triazole-4-carbohydrazide
SMILESCOCCn1cc(C(=O)NN)nn1
InChIInChI=1S/C6H11N5O2/c1-13-3-2-11-4-5(9-10-11)6(12)8-7/h4H,2-3,7H2,1H3,(H,8,12)
InChIKeySOBVOJYBWAJHNH-UHFFFAOYSA-N
XLogP-1.47
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-1.47
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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Related Compounds

1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 63580485
1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide
CID 63574398
1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide
CID 63575951
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63575381
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 130468342
methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
CID 104601014
1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide
CID 114158101
1-(2-cyclohexyloxyethyl)triazole-4-carbohydrazide
CID 63588317
1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide
CID 63569793
1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide
CID 55214193
1-[2-(2,4,5-trichlorophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576197
1-[2-(2,4,6-trichlorophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576124

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)triazole-4-carbohydrazide?
The IUPAC name of 1-(2-methoxyethyl)triazole-4-carbohydrazide (CID 63587191) is 1-(2-methoxyethyl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(2-methoxyethyl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(2-methoxyethyl)triazole-4-carbohydrazide is COCCn1cc(C(=O)NN)nn1.
What is the InChIKey of 1-(2-methoxyethyl)triazole-4-carbohydrazide?
The InChIKey is SOBVOJYBWAJHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-13-3-2-11-4-5(9-10-11)6(12)8-7/h4H,2-3,7H2,1H3,(H,8,12).
What are the key properties of 1-(2-methoxyethyl)triazole-4-carbohydrazide?
1-(2-methoxyethyl)triazole-4-carbohydrazide has a molecular weight of 185.19 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)triazole-4-carbohydrazide is sourced from PubChem (CID 63587191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).