6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide

C13H11F3N4O3 — CID 167450736

IUPAC6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide
SMILESCOc1ccc(-c2cncc(C(=O)NN)n2)c(OC(F)(F)F)c1
InChIInChI=1S/C13H11F3N4O3/c1-22-7-2-3-8(11(4-7)23-13(14,15)16)9-5-18-6-10(19-9)12(21)20-17/h2-6H,17H2,1H3,(H,20,21)
InChIKeyUKUSTCYALILOEM-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.65
Rot. Bonds4

About 6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide

6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide (PubChem CID 167450736) has the molecular formula C13H11F3N4O3 and a molecular weight of 328.25 g/mol. Its IUPAC name is 6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound Name6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide
PubChem CID167450736
Molecular FormulaC13H11F3N4O3
Molecular Weight328.25 g/mol
Exact Mass328.08
IUPAC Name6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide
SMILESCOc1ccc(-c2cncc(C(=O)NN)n2)c(OC(F)(F)F)c1
InChIInChI=1S/C13H11F3N4O3/c1-22-7-2-3-8(11(4-7)23-13(14,15)16)9-5-18-6-10(19-9)12(21)20-17/h2-6H,17H2,1H3,(H,20,21)
InChIKeyUKUSTCYALILOEM-UHFFFAOYSA-N
XLogP1.65
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.65
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

N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 174239640
6-(5-methoxy-2-pyridinyl)pyrazine-2-carbohydrazide
CID 167450609
methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
CID 167450835
methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 167450862
6-(2-methylphenyl)pyrazine-2-carbohydrazide
CID 167450789
6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(3-fluoro-5-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450863
6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450798
methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 146347015
6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450587
5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine
CID 28955643
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide
CID 82446236
N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 52945969

Frequently Asked Questions

What is the IUPAC name of 6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide?
The IUPAC name of 6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide (CID 167450736) is 6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for 6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide?
The canonical SMILES for 6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide is COc1ccc(-c2cncc(C(=O)NN)n2)c(OC(F)(F)F)c1.
What is the InChIKey of 6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide?
The InChIKey is UKUSTCYALILOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O3/c1-22-7-2-3-8(11(4-7)23-13(14,15)16)9-5-18-6-10(19-9)12(21)20-17/h2-6H,17H2,1H3,(H,20,21).
What are the key properties of 6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide?
6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide has a molecular weight of 328.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 167450736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).