2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine

C18H15N3O3 — CID 126529003

IUPAC2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine
SMILESCC(Oc1nccnc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-13(14-5-3-2-4-6-14)24-18-17(19-11-12-20-18)15-7-9-16(10-8-15)21(22)23/h2-13H,1H3
InChIKeyQUWKGGLGFZEZFC-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.19
Rot. Bonds5

About 2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine

2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine (PubChem CID 126529003) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine.

Molecular Properties

Compound Name2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine
PubChem CID126529003
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine
SMILESCC(Oc1nccnc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-13(14-5-3-2-4-6-14)24-18-17(19-11-12-20-18)15-7-9-16(10-8-15)21(22)23/h2-13H,1H3
InChIKeyQUWKGGLGFZEZFC-UHFFFAOYSA-N
XLogP4.19
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine
CID 175164450
2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126530724
1-nitro-4-(1-phenylethyl)benzene
CID 11790935
5-nitro-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80860205
5-nitro-6-(1-phenylethoxy)pyridin-2-amine
CID 80860724
2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine
CID 126529968
5-methoxy-3-(4-nitrophenyl)-6-phenyl-1,2,4-triazine
CID 6404991
3-(1-phenylethoxy)pyrazine-2-carbothioamide
CID 62683961
4-[3-(4-nitrophenyl)pyrazin-2-yl]naphthalen-1-amine
CID 69408395
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
1-benzhydryloxy-4-nitrobenzene
CID 7434051
[3-(4-nitrophenyl)pyrazin-2-yl]hydrazine
CID 112559568

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine?
The IUPAC name of 2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine (CID 126529003) is 2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine.
What is the SMILES notation for 2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine?
The canonical SMILES for 2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine is CC(Oc1nccnc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine?
The InChIKey is QUWKGGLGFZEZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-13(14-5-3-2-4-6-14)24-18-17(19-11-12-20-18)15-7-9-16(10-8-15)21(22)23/h2-13H,1H3.
What are the key properties of 2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine?
2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine has a molecular weight of 321.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine is sourced from PubChem (CID 126529003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).