5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine

C18H13F3N4O — CID 130184369

IUPAC5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine
SMILES[H]/N=C(/n1cc(-c2ccc(Oc3ccccc3)cc2)nc/c1=N\[H])C(F)(F)F
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)17(23)25-11-15(24-10-16(25)22)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13/h1-11,22-23H/b22-16+,23-17+
InChIKeyHGWCUKCKLDZWIZ-LKNRODPVSA-N
MW358.32 g/mol
LogP4.21
Rot. Bonds3

About 5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine

5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine (PubChem CID 130184369) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine
PubChem CID130184369
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine
SMILES[H]/N=C(/n1cc(-c2ccc(Oc3ccccc3)cc2)nc/c1=N\[H])C(F)(F)F
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)17(23)25-11-15(24-10-16(25)22)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13/h1-11,22-23H/b22-16+,23-17+
InChIKeyHGWCUKCKLDZWIZ-LKNRODPVSA-N
XLogP4.21
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.21
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'}

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Related Compounds

1-(2-chloro-2,2-difluoroethanimidoyl)-5-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-imine
CID 171925529
4-[6-imino-3-(4-phenoxyphenyl)pyridazin-1-yl]butanoic acid
CID 71467194
[4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
CID 126672892
2-(4-phenoxyphenoxy)ethanimidamide
CID 24695247
2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129065717
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene
CID 154271060
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)phenyl]-1-(2,2,2-trifluoroethanimidoyl)pyridin-2-imine
CID 130184471
[3-amino-4-carbamoyl-5-(4-phenoxyphenyl)pyrazol-1-yl] 2,2,2-trifluoroacetate
CID 174929738
(6-phenyl-3-pyridinyl) trifluoromethanesulfonate
CID 101475551
4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083628
5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083615
3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide
CID 129083343

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine?
The IUPAC name of 5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine (CID 130184369) is 5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine.
What is the SMILES notation for 5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine?
The canonical SMILES for 5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine is [H]/N=C(/n1cc(-c2ccc(Oc3ccccc3)cc2)nc/c1=N\[H])C(F)(F)F.
What is the InChIKey of 5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine?
The InChIKey is HGWCUKCKLDZWIZ-LKNRODPVSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)17(23)25-11-15(24-10-16(25)22)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13/h1-11,22-23H/b22-16+,23-17+.
What are the key properties of 5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine?
5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine has a molecular weight of 358.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine is sourced from PubChem (CID 130184369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).