N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide

C14H11F3N4O3 — CID 4826934

IUPACN'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1cnccn1
InChIInChI=1S/C14H11F3N4O3/c15-14(16,17)9-2-1-3-10(6-9)24-8-12(22)20-21-13(23)11-7-18-4-5-19-11/h1-7H,8H2,(H,20,22)(H,21,23)
InChIKeyTXOIGHSIUHXUNX-UHFFFAOYSA-N
MW340.26 g/mol
LogP1.34
Rot. Bonds4

About N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide

N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide (PubChem CID 4826934) has the molecular formula C14H11F3N4O3 and a molecular weight of 340.26 g/mol. Its IUPAC name is N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide
PubChem CID4826934
Molecular FormulaC14H11F3N4O3
Molecular Weight340.26 g/mol
Exact Mass340.08
IUPAC NameN'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1cnccn1
InChIInChI=1S/C14H11F3N4O3/c15-14(16,17)9-2-1-3-10(6-9)24-8-12(22)20-21-13(23)11-7-18-4-5-19-11/h1-7H,8H2,(H,20,22)(H,21,23)
InChIKeyTXOIGHSIUHXUNX-UHFFFAOYSA-N
XLogP1.34
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide (CID 4826934) is N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide is O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1cnccn1.
What is the InChIKey of N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide?
The InChIKey is TXOIGHSIUHXUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O3/c15-14(16,17)9-2-1-3-10(6-9)24-8-12(22)20-21-13(23)11-7-18-4-5-19-11/h1-7H,8H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide?
N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide has a molecular weight of 340.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 4826934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).