N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide

C12H9F3N4O2 — CID 135983232

IUPACN'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
SMILESN/C(=N/O)c1nccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N4O2/c13-12(14,15)7-2-1-3-8(6-7)21-11-9(10(16)19-20)17-4-5-18-11/h1-6,20H,(H2,16,19)
InChIKeyMEGHHNUKHFHUCR-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.38
Rot. Bonds3

About N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide

N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide (PubChem CID 135983232) has the molecular formula C12H9F3N4O2 and a molecular weight of 298.22 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
PubChem CID135983232
Molecular FormulaC12H9F3N4O2
Molecular Weight298.22 g/mol
Exact Mass298.07
IUPAC NameN'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
SMILESN/C(=N/O)c1nccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N4O2/c13-12(14,15)7-2-1-3-8(6-7)21-11-9(10(16)19-20)17-4-5-18-11/h1-6,20H,(H2,16,19)
InChIKeyMEGHHNUKHFHUCR-UHFFFAOYSA-N
XLogP2.38
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 6930221
3-(4-ethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide
CID 135983592
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
5,6-dimethyl-1-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 71178034
3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile
CID 80510221
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
1-(2-aminophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiourea
CID 143083004
3-(3-bromophenoxy)pyrazine-2-carboxamide
CID 62684983
N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide
CID 175873735

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide (CID 135983232) is N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide is N/C(=N/O)c1nccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide?
The InChIKey is MEGHHNUKHFHUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O2/c13-12(14,15)7-2-1-3-8(6-7)21-11-9(10(16)19-20)17-4-5-18-11/h1-6,20H,(H2,16,19).
What are the key properties of N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide?
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide has a molecular weight of 298.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide is sourced from PubChem (CID 135983232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).