1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide

C7H10F3N5O2 — CID 63588700

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCOCC(F)(F)F)nn1
InChIInChI=1S/C7H10F3N5O2/c8-7(9,10)4-17-2-1-15-3-5(13-14-15)6(16)12-11/h3H,1-2,4,11H2,(H,12,16)
InChIKeyRHNFFHGOWJDKAX-UHFFFAOYSA-N
MW253.18 g/mol
LogP-0.54
Rot. Bonds5

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

1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide (PubChem CID 63588700) has the molecular formula C7H10F3N5O2 and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide
PubChem CID63588700
Molecular FormulaC7H10F3N5O2
Molecular Weight253.18 g/mol
Exact Mass253.08
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCOCC(F)(F)F)nn1
InChIInChI=1S/C7H10F3N5O2/c8-7(9,10)4-17-2-1-15-3-5(13-14-15)6(16)12-11/h3H,1-2,4,11H2,(H,12,16)
InChIKeyRHNFFHGOWJDKAX-UHFFFAOYSA-N
XLogP-0.54
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 5-0.54
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide (CID 63588700) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide is NNC(=O)c1cn(CCOCC(F)(F)F)nn1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide?
The InChIKey is RHNFFHGOWJDKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5O2/c8-7(9,10)4-17-2-1-15-3-5(13-14-15)6(16)12-11/h3H,1-2,4,11H2,(H,12,16).
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide?
1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide has a molecular weight of 253.18 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63588700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).