1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide

C8H13N5O2 — CID 63575951

IUPAC1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide
SMILESC=CCOCCn1cc(C(=O)NN)nn1
InChIInChI=1S/C8H13N5O2/c1-2-4-15-5-3-13-6-7(11-12-13)8(14)10-9/h2,6H,1,3-5,9H2,(H,10,14)
InChIKeyURZBWMBAHOJXNN-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.92
Rot. Bonds6

About 1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide

1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide (PubChem CID 63575951) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide
PubChem CID63575951
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide
SMILESC=CCOCCn1cc(C(=O)NN)nn1
InChIInChI=1S/C8H13N5O2/c1-2-4-15-5-3-13-6-7(11-12-13)8(14)10-9/h2,6H,1,3-5,9H2,(H,10,14)
InChIKeyURZBWMBAHOJXNN-UHFFFAOYSA-N
XLogP-0.92
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.92
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': 'isolated_alkene', '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-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide
CID 63574383
1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide
CID 114158101
1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide
CID 63574398
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63575381
1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63586475
1-(2-cyclohexyloxyethyl)triazole-4-carbohydrazide
CID 63588317
1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide
CID 63568612
1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 63580485
1-[2-(2,4,5-trichlorophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576197
1-[2-(2,4,6-tribromophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576810
1-[2-(2,4,6-trichlorophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576124

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide?
The IUPAC name of 1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide (CID 63575951) is 1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide is C=CCOCCn1cc(C(=O)NN)nn1.
What is the InChIKey of 1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide?
The InChIKey is URZBWMBAHOJXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-2-4-15-5-3-13-6-7(11-12-13)8(14)10-9/h2,6H,1,3-5,9H2,(H,10,14).
What are the key properties of 1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide?
1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide has a molecular weight of 211.22 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide is sourced from PubChem (CID 63575951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).