2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine

C13H9N5O2 — CID 174551065

IUPAC2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine
SMILESO=[N+]([O-])c1cccc(-c2cn(-c3cnccn3)cn2)c1
InChIInChI=1S/C13H9N5O2/c19-18(20)11-3-1-2-10(6-11)12-8-17(9-16-12)13-7-14-4-5-15-13/h1-9H
InChIKeyHWVXCLAGCRRJQV-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.24
Rot. Bonds3

About 2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine

2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine (PubChem CID 174551065) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine
PubChem CID174551065
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine
SMILESO=[N+]([O-])c1cccc(-c2cn(-c3cnccn3)cn2)c1
InChIInChI=1S/C13H9N5O2/c19-18(20)11-3-1-2-10(6-11)12-8-17(9-16-12)13-7-14-4-5-15-13/h1-9H
InChIKeyHWVXCLAGCRRJQV-UHFFFAOYSA-N
XLogP2.24
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine
CID 174550966
3-nitro-4-(3-nitrophenyl)pyridine
CID 26793007
3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine
CID 174551117
3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine
CID 126571916
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
2-nitro-5-(1-pyridin-3-ylimidazol-4-yl)phenol
CID 174616618
bis[2-(3-nitrophenyl)-4-pyridinyl]methanone
CID 141011336
[6-(3-nitrophenyl)-3-pyridinyl]methanol
CID 24729921
N-(4-fluorophenyl)-4-(3-nitrophenyl)pyrimidin-2-amine
CID 11673977
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
[1-ethyl-3-(3-nitrophenyl)pyrazol-5-yl]methanamine
CID 84761582
3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 2774286

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine?
The IUPAC name of 2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine (CID 174551065) is 2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine.
What is the SMILES notation for 2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine?
The canonical SMILES for 2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine is O=[N+]([O-])c1cccc(-c2cn(-c3cnccn3)cn2)c1.
What is the InChIKey of 2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine?
The InChIKey is HWVXCLAGCRRJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c19-18(20)11-3-1-2-10(6-11)12-8-17(9-16-12)13-7-14-4-5-15-13/h1-9H.
What are the key properties of 2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine?
2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine has a molecular weight of 267.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-nitrophenyl)imidazol-1-yl]pyrazine is sourced from PubChem (CID 174551065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).