2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine

C14H9F3N4O4 — CID 155526214

IUPAC2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine
SMILESO=[N+]([O-])c1cn2ccnc(OCc3ccccc3OC(F)(F)F)c2n1
InChIInChI=1S/C14H9F3N4O4/c15-14(16,17)25-10-4-2-1-3-9(10)8-24-13-12-19-11(21(22)23)7-20(12)6-5-18-13/h1-7H,8H2
InChIKeyYNTWJPMBVLSPAG-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.12
Rot. Bonds5

About 2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine

2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine (PubChem CID 155526214) has the molecular formula C14H9F3N4O4 and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine
PubChem CID155526214
Molecular FormulaC14H9F3N4O4
Molecular Weight354.24 g/mol
Exact Mass354.06
IUPAC Name2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine
SMILESO=[N+]([O-])c1cn2ccnc(OCc3ccccc3OC(F)(F)F)c2n1
InChIInChI=1S/C14H9F3N4O4/c15-14(16,17)25-10-4-2-1-3-9(10)8-24-13-12-19-11(21(22)23)7-20(12)6-5-18-13/h1-7H,8H2
InChIKeyYNTWJPMBVLSPAG-UHFFFAOYSA-N
XLogP3.12
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine?
The IUPAC name of 2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine (CID 155526214) is 2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine is O=[N+]([O-])c1cn2ccnc(OCc3ccccc3OC(F)(F)F)c2n1.
What is the InChIKey of 2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine?
The InChIKey is YNTWJPMBVLSPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O4/c15-14(16,17)25-10-4-2-1-3-9(10)8-24-13-12-19-11(21(22)23)7-20(12)6-5-18-13/h1-7H,8H2.
What are the key properties of 2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine?
2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine has a molecular weight of 354.24 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155526214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).